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Benzene, [3-(2-propynyloxy)-1-propenyl]-
TL;DR: Benzene, [3-(2-propynyloxy)-1-propenyl]- (CAS 110966-13-7) is a chemical compound with molecular formula C12H12O and molecular weight 172.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-prop-2-ynoxyprop-1-enylbenzene
Also Known As: 3-prop-2-ynoxyprop-1-enylbenzene, Benzene, [3-(2-propynyloxy)-1-propenyl]-, (E)-1-phenyl-4-oxa-1-hepten-6-yne, {3-[(Prop-2-yn-1-yl)oxy]prop-1-en-1-yl}benzene
Technical Specifications
| Molecular Formula | C12H12O |
| Molecular Weight | 172.08882 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.08882 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | C#CCOCC=CC1=CC=CC=C1 |
| InChIKey | VMKISEXUKFXERZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, [3-(2-propynyloxy)-1-propenyl]-
Property Insights of Benzene, [3-(2-propynyloxy)-1-propenyl]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, [3-(2-propynyloxy)-1-propenyl]-. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, [3-(2-propynyloxy)-1-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [3-(2-propynyloxy)-1-propenyl]- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, [3-(2-propynyloxy)-1-propenyl]-?
The CAS number of Benzene, [3-(2-propynyloxy)-1-propenyl]- is 110966-13-7.
What is the molecular formula of Benzene, [3-(2-propynyloxy)-1-propenyl]-?
The molecular formula of Benzene, [3-(2-propynyloxy)-1-propenyl]- is C12H12O.
What is the molecular weight of Benzene, [3-(2-propynyloxy)-1-propenyl]-?
The molecular weight of Benzene, [3-(2-propynyloxy)-1-propenyl]- is 172.08882 g/mol.
Where can I buy Benzene, [3-(2-propynyloxy)-1-propenyl]-?
You can request a quote for Benzene, [3-(2-propynyloxy)-1-propenyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, [3-(2-propynyloxy)-1-propenyl]-?
Yes, CoreyChem provides custom synthesis services for Benzene, [3-(2-propynyloxy)-1-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.