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

C17H30O2 — CID 10611834

IUPAC3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(CCCCCCCCCCO)CCCC1=O
InChIInChI=1S/C17H30O2/c1-15-16(12-10-13-17(15)19)11-8-6-4-2-3-5-7-9-14-18/h18H,2-14H2,1H3
InChIKeyCCUJBDDWDSXJQT-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.56
Rot. Bonds10

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

3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one (PubChem CID 10611834) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one
PubChem CID10611834
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(CCCCCCCCCCO)CCCC1=O
InChIInChI=1S/C17H30O2/c1-15-16(12-10-13-17(15)19)11-8-6-4-2-3-5-7-9-14-18/h18H,2-14H2,1H3
InChIKeyCCUJBDDWDSXJQT-UHFFFAOYSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.56
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)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one (CID 10611834) is 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one is CC1=C(CCCCCCCCCCO)CCCC1=O.
What is the InChIKey of 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one?
The InChIKey is CCUJBDDWDSXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-15-16(12-10-13-17(15)19)11-8-6-4-2-3-5-7-9-14-18/h18H,2-14H2,1H3.
What are the key properties of 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one?
3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-hydroxydecyl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10611834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).