10-hydroxydodec-1-en-6-one

C12H22O2 — CID 14752697

IUPAC10-hydroxydodec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(O)CC
InChIInChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3,11,13H,1,4-10H2,2H3
InChIKeyBZIPPGZYDGOYRQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds9

About 10-hydroxydodec-1-en-6-one

10-hydroxydodec-1-en-6-one (PubChem CID 14752697) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 10-hydroxydodec-1-en-6-one.

Molecular Properties

Compound Name10-hydroxydodec-1-en-6-one
PubChem CID14752697
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name10-hydroxydodec-1-en-6-one
SMILESC=CCCCC(=O)CCCC(O)CC
InChIInChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3,11,13H,1,4-10H2,2H3
InChIKeyBZIPPGZYDGOYRQ-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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 10-hydroxydodec-1-en-6-one?
The IUPAC name of 10-hydroxydodec-1-en-6-one (CID 14752697) is 10-hydroxydodec-1-en-6-one.
What is the SMILES notation for 10-hydroxydodec-1-en-6-one?
The canonical SMILES for 10-hydroxydodec-1-en-6-one is C=CCCCC(=O)CCCC(O)CC.
What is the InChIKey of 10-hydroxydodec-1-en-6-one?
The InChIKey is BZIPPGZYDGOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3,11,13H,1,4-10H2,2H3.
What are the key properties of 10-hydroxydodec-1-en-6-one?
10-hydroxydodec-1-en-6-one has a molecular weight of 198.31 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydodec-1-en-6-one is sourced from PubChem (CID 14752697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).