(Z)-5-methylhenicos-6-en-11-one

C22H42O — CID 5363254

IUPAC(Z)-5-methylhenicos-6-en-11-one
SMILESCCCCCCCCCCC(=O)CCC/C=C\C(C)CCCC
InChIInChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14-
InChIKeyYVHMYAXTGNQAFL-JXAWBTAJSA-N
MW322.58 g/mol
LogP7.64
Rot. Bonds17

About (Z)-5-methylhenicos-6-en-11-one

(Z)-5-methylhenicos-6-en-11-one (PubChem CID 5363254) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is (Z)-5-methylhenicos-6-en-11-one.

Molecular Properties

Compound Name(Z)-5-methylhenicos-6-en-11-one
PubChem CID5363254
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name(Z)-5-methylhenicos-6-en-11-one
SMILESCCCCCCCCCCC(=O)CCC/C=C\C(C)CCCC
InChIInChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14-
InChIKeyYVHMYAXTGNQAFL-JXAWBTAJSA-N
XLogP7.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.64
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)-5-methylhenicos-6-en-11-one?
The IUPAC name of (Z)-5-methylhenicos-6-en-11-one (CID 5363254) is (Z)-5-methylhenicos-6-en-11-one.
What is the SMILES notation for (Z)-5-methylhenicos-6-en-11-one?
The canonical SMILES for (Z)-5-methylhenicos-6-en-11-one is CCCCCCCCCCC(=O)CCC/C=C\C(C)CCCC.
What is the InChIKey of (Z)-5-methylhenicos-6-en-11-one?
The InChIKey is YVHMYAXTGNQAFL-JXAWBTAJSA-N. The full InChI is InChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14-.
What are the key properties of (Z)-5-methylhenicos-6-en-11-one?
(Z)-5-methylhenicos-6-en-11-one has a molecular weight of 322.58 g/mol, XLogP of 7.64, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylhenicos-6-en-11-one is sourced from PubChem (CID 5363254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).