(Z)-henicos-6-en-11-one

C21H40O — CID 5364717

IUPAC(Z)-henicos-6-en-11-one
SMILESCCCCC/C=C\CCCC(=O)CCCCCCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-
InChIKeyYLNMHCDVFVPONQ-QBFSEMIESA-N
MW308.55 g/mol
LogP7.39
Rot. Bonds17

About (Z)-henicos-6-en-11-one

(Z)-henicos-6-en-11-one (PubChem CID 5364717) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is (Z)-henicos-6-en-11-one.

Molecular Properties

Compound Name(Z)-henicos-6-en-11-one
PubChem CID5364717
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Name(Z)-henicos-6-en-11-one
SMILESCCCCC/C=C\CCCC(=O)CCCCCCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-
InChIKeyYLNMHCDVFVPONQ-QBFSEMIESA-N
XLogP7.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-henicos-6-en-11-one?
The IUPAC name of (Z)-henicos-6-en-11-one (CID 5364717) is (Z)-henicos-6-en-11-one.
What is the SMILES notation for (Z)-henicos-6-en-11-one?
The canonical SMILES for (Z)-henicos-6-en-11-one is CCCCC/C=C\CCCC(=O)CCCCCCCCCC.
What is the InChIKey of (Z)-henicos-6-en-11-one?
The InChIKey is YLNMHCDVFVPONQ-QBFSEMIESA-N. The full InChI is InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-.
What are the key properties of (Z)-henicos-6-en-11-one?
(Z)-henicos-6-en-11-one has a molecular weight of 308.55 g/mol, XLogP of 7.39, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-henicos-6-en-11-one is sourced from PubChem (CID 5364717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).