1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one

C17H32O2 — CID 116750123

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one
SMILESCCOC1(C(=O)CCCC(C)C)CCC(C)(C)CC1
InChIInChI=1S/C17H32O2/c1-6-19-17(12-10-16(4,5)11-13-17)15(18)9-7-8-14(2)3/h14H,6-13H2,1-5H3
InChIKeyWZUCQJNUBOBCGN-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.76
Rot. Bonds7

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one

1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one (PubChem CID 116750123) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one
PubChem CID116750123
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one
SMILESCCOC1(C(=O)CCCC(C)C)CCC(C)(C)CC1
InChIInChI=1S/C17H32O2/c1-6-19-17(12-10-16(4,5)11-13-17)15(18)9-7-8-14(2)3/h14H,6-13H2,1-5H3
InChIKeyWZUCQJNUBOBCGN-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
CID 83226738
1-(1-methoxy-4,4-dimethylcyclohexyl)-4-methylpentan-1-one
CID 116750172
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-(oxolan-2-yl)butan-1-one
CID 116750015
1-(1-ethoxy-4,4-dimethylcyclohexyl)but-3-yn-1-one
CID 116750085
1-(1-methoxycyclohexyl)-5-methylhexan-1-one
CID 116748157
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416
1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-one
CID 116750183
1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
CID 116748256

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one (CID 116750123) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one is CCOC1(C(=O)CCCC(C)C)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one?
The InChIKey is WZUCQJNUBOBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-19-17(12-10-16(4,5)11-13-17)15(18)9-7-8-14(2)3/h14H,6-13H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one has a molecular weight of 268.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one is sourced from PubChem (CID 116750123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).