1-cyclohexyl-1-hydroxy-4-methylheptan-2-one

C14H26O2 — CID 103457590

IUPAC1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
SMILESCCCC(C)CC(=O)C(O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-3-7-11(2)10-13(15)14(16)12-8-5-4-6-9-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYZEIXRQDARPWRU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.32
Rot. Bonds6

About 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one

1-cyclohexyl-1-hydroxy-4-methylheptan-2-one (PubChem CID 103457590) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
PubChem CID103457590
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
SMILESCCCC(C)CC(=O)C(O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-3-7-11(2)10-13(15)14(16)12-8-5-4-6-9-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYZEIXRQDARPWRU-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
CID 103455899
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
CID 103457527
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
N-cyclopropyl-3-methylhexanamide
CID 155359047
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687
1,1-difluoro-4-methylheptan-2-one
CID 112574315
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
7-cyclohexyloctan-4-ol
CID 66612590
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one (CID 103457590) is 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one is CCCC(C)CC(=O)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one?
The InChIKey is YZEIXRQDARPWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-7-11(2)10-13(15)14(16)12-8-5-4-6-9-12/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one?
1-cyclohexyl-1-hydroxy-4-methylheptan-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-4-methylheptan-2-one is sourced from PubChem (CID 103457590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).