(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one

C12H22O — CID 102408450

IUPAC(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
SMILESCC[C@]1(CC(C)C)CCCC(=O)C1
InChIInChI=1S/C12H22O/c1-4-12(8-10(2)3)7-5-6-11(13)9-12/h10H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyWIUSHUJKFPHDKP-GFCCVEGCSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds3

About (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one

(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one (PubChem CID 102408450) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
PubChem CID102408450
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
SMILESCC[C@]1(CC(C)C)CCCC(=O)C1
InChIInChI=1S/C12H22O/c1-4-12(8-10(2)3)7-5-6-11(13)9-12/h10H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyWIUSHUJKFPHDKP-GFCCVEGCSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
(3S)-3-butyl-3-ethylcycloheptan-1-one
CID 102514499
3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one
CID 115012084
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
(3R)-3-methyl-3-(1-nitroethyl)cyclohexan-1-one
CID 102473677
3-(aminomethyl)-3-ethylcyclobutan-1-one
CID 115011153
methyl 1-ethyl-3-oxocyclohexane-1-carboxylate
CID 19899040
methyl (1S)-1-ethyl-3-oxocyclohexane-1-carboxylate
CID 102477472
3-(fluoromethyl)-3-(nitromethyl)cyclohexan-1-one
CID 170721269

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one (CID 102408450) is (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one is CC[C@]1(CC(C)C)CCCC(=O)C1.
What is the InChIKey of (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one?
The InChIKey is WIUSHUJKFPHDKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O/c1-4-12(8-10(2)3)7-5-6-11(13)9-12/h10H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one?
(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one is sourced from PubChem (CID 102408450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).