(6Z,8E)-henicosa-6,8-dien-11-one

C21H38O — CID 11324237

IUPAC(6Z,8E)-henicosa-6,8-dien-11-one
SMILESCCCCC/C=C\C=C\CC(=O)CCCCCCCCCC
InChIInChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16,18-20H2,1-2H3/b13-11-,17-15+
InChIKeyOOYMTGLPPRCUKK-WREYUNAZSA-N
MW306.53 g/mol
LogP7.17
Rot. Bonds16

About (6Z,8E)-henicosa-6,8-dien-11-one

(6Z,8E)-henicosa-6,8-dien-11-one (PubChem CID 11324237) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (6Z,8E)-henicosa-6,8-dien-11-one.

Molecular Properties

Compound Name(6Z,8E)-henicosa-6,8-dien-11-one
PubChem CID11324237
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(6Z,8E)-henicosa-6,8-dien-11-one
SMILESCCCCC/C=C\C=C\CC(=O)CCCCCCCCCC
InChIInChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16,18-20H2,1-2H3/b13-11-,17-15+
InChIKeyOOYMTGLPPRCUKK-WREYUNAZSA-N
XLogP7.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-henicosa-6,8-dien-11-one?
The IUPAC name of (6Z,8E)-henicosa-6,8-dien-11-one (CID 11324237) is (6Z,8E)-henicosa-6,8-dien-11-one.
What is the SMILES notation for (6Z,8E)-henicosa-6,8-dien-11-one?
The canonical SMILES for (6Z,8E)-henicosa-6,8-dien-11-one is CCCCC/C=C\C=C\CC(=O)CCCCCCCCCC.
What is the InChIKey of (6Z,8E)-henicosa-6,8-dien-11-one?
The InChIKey is OOYMTGLPPRCUKK-WREYUNAZSA-N. The full InChI is InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16,18-20H2,1-2H3/b13-11-,17-15+.
What are the key properties of (6Z,8E)-henicosa-6,8-dien-11-one?
(6Z,8E)-henicosa-6,8-dien-11-one has a molecular weight of 306.53 g/mol, XLogP of 7.17, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-henicosa-6,8-dien-11-one is sourced from PubChem (CID 11324237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).