11-hydroxydodec-5-en-2-one

C12H22O2 — CID 162958574

IUPAC11-hydroxydodec-5-en-2-one
SMILESCC(=O)CCC=CCCCCC(C)O
InChIInChI=1S/C12H22O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3,5,12,14H,4,6-10H2,1-2H3
InChIKeyOBWKBNXEXLTTJV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds8

About 11-hydroxydodec-5-en-2-one

11-hydroxydodec-5-en-2-one (PubChem CID 162958574) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 11-hydroxydodec-5-en-2-one.

Molecular Properties

Compound Name11-hydroxydodec-5-en-2-one
PubChem CID162958574
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name11-hydroxydodec-5-en-2-one
SMILESCC(=O)CCC=CCCCCC(C)O
InChIInChI=1S/C12H22O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3,5,12,14H,4,6-10H2,1-2H3
InChIKeyOBWKBNXEXLTTJV-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxydodec-5-en-2-one?
The IUPAC name of 11-hydroxydodec-5-en-2-one (CID 162958574) is 11-hydroxydodec-5-en-2-one.
What is the SMILES notation for 11-hydroxydodec-5-en-2-one?
The canonical SMILES for 11-hydroxydodec-5-en-2-one is CC(=O)CCC=CCCCCC(C)O.
What is the InChIKey of 11-hydroxydodec-5-en-2-one?
The InChIKey is OBWKBNXEXLTTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3,5,12,14H,4,6-10H2,1-2H3.
What are the key properties of 11-hydroxydodec-5-en-2-one?
11-hydroxydodec-5-en-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxydodec-5-en-2-one is sourced from PubChem (CID 162958574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).