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

CAS: 14901-07-6

Molecular Formula	`C13H20O`
Molecular Weight	192.3 g/mol
LogP	2.9
Topological Polar Surface Area	17.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	2
Exact Mass	192.15141
Heavy Atoms	14
Complexity	292.0

Chemical Identifiers

CAS Number	14901-07-6
SMILES	`CC1=C(C(CCC1)(C)C)C=CC(=O)C`
InChIKey	`PSQYTAPXSHCGMF-UHFFFAOYSA-N`

📖 Product Overview

4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one (CAS: 14901-07-6) is a chemical compound with molecular formula C13H20O and molecular weight 192.3 g/mol. Its IUPAC systematic name is 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one. LogP 2.9 Topological Polar Surface Area 17.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 2 Exact Mass 192.15141 Heavy Atoms 14 Complexity 292.0 InChI Key: PSQYTAPXSHCGMF-UHFFFAOYSA-N. SMILES: CC1=C(C(CCC1)(C)C)C=CC(=O)C.

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