3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

CAS: 127-51-5

Molecular Formula	`C14H22O`
Molecular Weight	206.32 g/mol
LogP	3.3
Topological Polar Surface Area	17.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	2
Exact Mass	206.16707
Heavy Atoms	15
Complexity	318.0

Chemical Identifiers

CAS Number	127-51-5
SMILES	`CC1=CCCC(C1C=C(C)C(=O)C)(C)C`
InChIKey	`JRJBVWJSTHECJK-UHFFFAOYSA-N`

📖 Product Overview

3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one (CAS: 127-51-5) is a chemical compound with molecular formula C14H22O and molecular weight 206.32 g/mol. Its IUPAC systematic name is 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one. LogP 3.3 Topological Polar Surface Area 17.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 2 Exact Mass 206.16707 Heavy Atoms 15 Complexity 318.0 InChI Key: JRJBVWJSTHECJK-UHFFFAOYSA-N. SMILES: CC1=CCCC(C1C=C(C)C(=O)C)(C)C.

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