DTXSID40859872

(2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

CAS: 5777-73-1

Molecular Formula	`C21H30O3`
Molecular Weight	330.5 g/mol
LogP	5.4
Topological Polar Surface Area	43.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	330.21948
Heavy Atoms	24
Complexity	615.0

Chemical Identifiers

CAS Number	5777-73-1
SMILES	`CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C`
InChIKey	`NZKIRHFOLVYKFT-UHFFFAOYSA-N`

📖 Product Overview

DTXSID40859872 (CAS: 5777-73-1) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.5 g/mol. Its IUPAC systematic name is (2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate. LogP 5.4 Topological Polar Surface Area 43.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 330.21948 Heavy Atoms 24 Complexity 615.0 InChI Key: NZKIRHFOLVYKFT-UHFFFAOYSA-N. SMILES: CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C.

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