(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one

C27H42O — CID 140692029

IUPAC(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCC(C)C
InChIInChI=1S/C27H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)25-24-26(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,26H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyZELOUKRBSMQNED-YNUSHXQLSA-N
MW382.63 g/mol
LogP8.47
Rot. Bonds17

About (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one

(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one (PubChem CID 140692029) has the molecular formula C27H42O and a molecular weight of 382.63 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one.

Molecular Properties

Compound Name(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
PubChem CID140692029
Molecular FormulaC27H42O
Molecular Weight382.63 g/mol
Exact Mass382.32
IUPAC Name(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCC(C)C
InChIInChI=1S/C27H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)25-24-26(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,26H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyZELOUKRBSMQNED-YNUSHXQLSA-N
XLogP8.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one with MolForge

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Related Compounds

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CID 57417355
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
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Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one?
The IUPAC name of (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one (CID 140692029) is (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one.
What is the SMILES notation for (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one?
The canonical SMILES for (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCC(C)C.
What is the InChIKey of (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one?
The InChIKey is ZELOUKRBSMQNED-YNUSHXQLSA-N. The full InChI is InChI=1S/C27H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)25-24-26(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,26H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one?
(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one has a molecular weight of 382.63 g/mol, XLogP of 8.47, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one is sourced from PubChem (CID 140692029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).