4-cyclohexyl-4-hydroxybutan-2-one

C10H18O2 — CID 10953960

IUPAC4-cyclohexyl-4-hydroxybutan-2-one
SMILESCC(=O)CC(O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-7H2,1H3
InChIKeyQXNRSBTYHRKYBD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds3

About 4-cyclohexyl-4-hydroxybutan-2-one

4-cyclohexyl-4-hydroxybutan-2-one (PubChem CID 10953960) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-cyclohexyl-4-hydroxybutan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-4-hydroxybutan-2-one
PubChem CID10953960
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-cyclohexyl-4-hydroxybutan-2-one
SMILESCC(=O)CC(O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-7H2,1H3
InChIKeyQXNRSBTYHRKYBD-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-hydroxybutan-2-one?
The IUPAC name of 4-cyclohexyl-4-hydroxybutan-2-one (CID 10953960) is 4-cyclohexyl-4-hydroxybutan-2-one.
What is the SMILES notation for 4-cyclohexyl-4-hydroxybutan-2-one?
The canonical SMILES for 4-cyclohexyl-4-hydroxybutan-2-one is CC(=O)CC(O)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-hydroxybutan-2-one?
The InChIKey is QXNRSBTYHRKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-7H2,1H3.
What are the key properties of 4-cyclohexyl-4-hydroxybutan-2-one?
4-cyclohexyl-4-hydroxybutan-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-hydroxybutan-2-one is sourced from PubChem (CID 10953960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).