(E)-1-hydroxyhexadec-10-en-7-one

C16H30O2 — CID 6161032

IUPAC(E)-1-hydroxyhexadec-10-en-7-one
SMILESCCCCC/C=C/CCC(=O)CCCCCCO
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17/h6-7,17H,2-5,8-15H2,1H3/b7-6+
InChIKeyHVUVWFDIXGAFRS-VOTSOKGWSA-N
MW254.41 g/mol
LogP4.41
Rot. Bonds13

About (E)-1-hydroxyhexadec-10-en-7-one

(E)-1-hydroxyhexadec-10-en-7-one (PubChem CID 6161032) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (E)-1-hydroxyhexadec-10-en-7-one.

Molecular Properties

Compound Name(E)-1-hydroxyhexadec-10-en-7-one
PubChem CID6161032
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(E)-1-hydroxyhexadec-10-en-7-one
SMILESCCCCC/C=C/CCC(=O)CCCCCCO
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17/h6-7,17H,2-5,8-15H2,1H3/b7-6+
InChIKeyHVUVWFDIXGAFRS-VOTSOKGWSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.41
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 (E)-1-hydroxyhexadec-10-en-7-one?
The IUPAC name of (E)-1-hydroxyhexadec-10-en-7-one (CID 6161032) is (E)-1-hydroxyhexadec-10-en-7-one.
What is the SMILES notation for (E)-1-hydroxyhexadec-10-en-7-one?
The canonical SMILES for (E)-1-hydroxyhexadec-10-en-7-one is CCCCC/C=C/CCC(=O)CCCCCCO.
What is the InChIKey of (E)-1-hydroxyhexadec-10-en-7-one?
The InChIKey is HVUVWFDIXGAFRS-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17/h6-7,17H,2-5,8-15H2,1H3/b7-6+.
What are the key properties of (E)-1-hydroxyhexadec-10-en-7-one?
(E)-1-hydroxyhexadec-10-en-7-one has a molecular weight of 254.41 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxyhexadec-10-en-7-one is sourced from PubChem (CID 6161032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).