2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one

C19H34O — CID 163490189

IUPAC2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one
SMILESCC[C@@H]1CC(C)CCCC1C(=O)C(C)C1CCCCC1
InChIInChI=1S/C19H34O/c1-4-16-13-14(2)9-8-12-18(16)19(20)15(3)17-10-6-5-7-11-17/h14-18H,4-13H2,1-3H3/t14?,15?,16-,18?/m1/s1
InChIKeyCLYCMSNUZYFEHD-LMBQMVEXSA-N
MW278.48 g/mol
LogP5.62
Rot. Bonds4

About 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one

2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one (PubChem CID 163490189) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one.

Molecular Properties

Compound Name2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one
PubChem CID163490189
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one
SMILESCC[C@@H]1CC(C)CCCC1C(=O)C(C)C1CCCCC1
InChIInChI=1S/C19H34O/c1-4-16-13-14(2)9-8-12-18(16)19(20)15(3)17-10-6-5-7-11-17/h14-18H,4-13H2,1-3H3/t14?,15?,16-,18?/m1/s1
InChIKeyCLYCMSNUZYFEHD-LMBQMVEXSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
CID 116708607
2-cyclohexylpropanoyl chloride
CID 3016042
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
2-propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
CID 142609759
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565195
2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
2-cyclopentylpropanoyl chloride
CID 18426767
2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
CID 166924939
1-(2-ethylcyclohexyl)-2-hydroxypentan-1-one
CID 103454049
2-cyclohexyl-4-methylpentan-3-one
CID 14086898

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one?
The IUPAC name of 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one (CID 163490189) is 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one.
What is the SMILES notation for 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one?
The canonical SMILES for 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one is CC[C@@H]1CC(C)CCCC1C(=O)C(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one?
The InChIKey is CLYCMSNUZYFEHD-LMBQMVEXSA-N. The full InChI is InChI=1S/C19H34O/c1-4-16-13-14(2)9-8-12-18(16)19(20)15(3)17-10-6-5-7-11-17/h14-18H,4-13H2,1-3H3/t14?,15?,16-,18?/m1/s1.
What are the key properties of 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one?
2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one has a molecular weight of 278.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(2R)-2-ethyl-4-methylcycloheptyl]propan-1-one is sourced from PubChem (CID 163490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).