1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one

C13H24O2 — CID 83226738

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CC)CCC(C)(C)CC1
InChIInChI=1S/C13H24O2/c1-5-11(14)13(15-6-2)9-7-12(3,4)8-10-13/h5-10H2,1-4H3
InChIKeyDFVWPAXHTWPGBT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds4

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one

1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one (PubChem CID 83226738) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
PubChem CID83226738
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
SMILESCCOC1(C(=O)CC)CCC(C)(C)CC1
InChIInChI=1S/C13H24O2/c1-5-11(14)13(15-6-2)9-7-12(3,4)8-10-13/h5-10H2,1-4H3
InChIKeyDFVWPAXHTWPGBT-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112
1-(1-ethoxy-4,4-dimethylcyclohexyl)but-3-yn-1-one
CID 116750085
1-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methylhexan-1-one
CID 116750123
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
1-ethoxycyclopropane-1-carbonyl chloride
CID 45081272
ethyl 3-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-difluoro-3-oxopropanoate
CID 116774985
2-(3-bromophenyl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750033
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-(oxolan-2-yl)butan-1-one
CID 116750015
1-(4-propoxyoxan-4-yl)propan-1-one
CID 83226055
(3,5-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750038
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
CID 116749474

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one (CID 83226738) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one is CCOC1(C(=O)CC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one?
The InChIKey is DFVWPAXHTWPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-11(14)13(15-6-2)9-7-12(3,4)8-10-13/h5-10H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one?
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 4 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)propan-1-one is sourced from PubChem (CID 83226738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).