3-(10-hydroxydecyl)cyclohex-2-en-1-one

C16H28O2 — CID 10824726

IUPAC3-(10-hydroxydecyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CCCCCCCCCCO)CCC1
InChIInChI=1S/C16H28O2/c17-13-8-6-4-2-1-3-5-7-10-15-11-9-12-16(18)14-15/h14,17H,1-13H2
InChIKeyKZAHHZZXUVIIQI-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.17
Rot. Bonds10

About 3-(10-hydroxydecyl)cyclohex-2-en-1-one

3-(10-hydroxydecyl)cyclohex-2-en-1-one (PubChem CID 10824726) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(10-hydroxydecyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(10-hydroxydecyl)cyclohex-2-en-1-one
PubChem CID10824726
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-(10-hydroxydecyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CCCCCCCCCCO)CCC1
InChIInChI=1S/C16H28O2/c17-13-8-6-4-2-1-3-5-7-10-15-11-9-12-16(18)14-15/h14,17H,1-13H2
InChIKeyKZAHHZZXUVIIQI-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10-hydroxydecyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(10-hydroxydecyl)cyclohex-2-en-1-one (CID 10824726) is 3-(10-hydroxydecyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(10-hydroxydecyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(10-hydroxydecyl)cyclohex-2-en-1-one is O=C1C=C(CCCCCCCCCCO)CCC1.
What is the InChIKey of 3-(10-hydroxydecyl)cyclohex-2-en-1-one?
The InChIKey is KZAHHZZXUVIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c17-13-8-6-4-2-1-3-5-7-10-15-11-9-12-16(18)14-15/h14,17H,1-13H2.
What are the key properties of 3-(10-hydroxydecyl)cyclohex-2-en-1-one?
3-(10-hydroxydecyl)cyclohex-2-en-1-one has a molecular weight of 252.40 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-hydroxydecyl)cyclohex-2-en-1-one is sourced from PubChem (CID 10824726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).