(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one

C26H40O — CID 157466418

IUPAC(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CC(C)C
InChIInChI=1S/C26H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)24-25(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,25H,4,7,10,13,16,19,22-24H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyBUNMSXBWBBOQDF-YNUSHXQLSA-N
MW368.61 g/mol
LogP8.08
Rot. Bonds16

About (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one

(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one (PubChem CID 157466418) has the molecular formula C26H40O and a molecular weight of 368.61 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one
PubChem CID157466418
Molecular FormulaC26H40O
Molecular Weight368.61 g/mol
Exact Mass368.31
IUPAC Name(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CC(C)C
InChIInChI=1S/C26H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)24-25(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,25H,4,7,10,13,16,19,22-24H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyBUNMSXBWBBOQDF-YNUSHXQLSA-N
XLogP8.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one with MolForge

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Related Compounds

(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
CID 140692029
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one?
The IUPAC name of (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one (CID 157466418) is (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one.
What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one?
The canonical SMILES for (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CC(C)C.
What is the InChIKey of (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one?
The InChIKey is BUNMSXBWBBOQDF-YNUSHXQLSA-N. The full InChI is InChI=1S/C26H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)24-25(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,25H,4,7,10,13,16,19,22-24H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one?
(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one has a molecular weight of 368.61 g/mol, XLogP of 8.08, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one is sourced from PubChem (CID 157466418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).