TL;DR: (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane (CAS 1212412-44-6) is a chemical compound with molecular formula C15H27ClO2 and molecular weight 274.16995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane
Also Known As: (3S)-3-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane, (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane
| Molecular Formula | C15H27ClO2 |
| Molecular Weight | 274.16995 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.16995 Da |
| Heavy Atoms | 18 |
| Complexity | 221.0 |
| SMILES | C1CCCCCC2(CCCCC1)OC[C@H](O2)CCl |
| InChIKey | RHBAQLRMUDIJFL-CQSZACIVSA-N |
The XLogP value of 5.3 indicates that (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane is 1212412-44-6.
The molecular formula of (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane is C15H27ClO2.
The molecular weight of (S)-2-(chloromethyl)-1,4-dioxaspiro[4.11]hexadecane is 274.16995 g/mol.
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