6-methyltetracosa-10,13,16,19-tetraen-7-one

C25H42O — CID 123315985

IUPAC6-methyltetracosa-10,13,16,19-tetraen-7-one
SMILESCCCCC=CCC=CCC=CCC=CCCC(=O)C(C)CCCCC
InChIInChI=1S/C25H42O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)24(3)22-20-7-5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3
InChIKeyLFRUMDDSXQQZLP-UHFFFAOYSA-N
MW358.61 g/mol
LogP8.14
Rot. Bonds17

About 6-methyltetracosa-10,13,16,19-tetraen-7-one

6-methyltetracosa-10,13,16,19-tetraen-7-one (PubChem CID 123315985) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 6-methyltetracosa-10,13,16,19-tetraen-7-one.

Molecular Properties

Compound Name6-methyltetracosa-10,13,16,19-tetraen-7-one
PubChem CID123315985
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name6-methyltetracosa-10,13,16,19-tetraen-7-one
SMILESCCCCC=CCC=CCC=CCC=CCCC(=O)C(C)CCCCC
InChIInChI=1S/C25H42O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)24(3)22-20-7-5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3
InChIKeyLFRUMDDSXQQZLP-UHFFFAOYSA-N
XLogP8.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 58.14
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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Related Compounds

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CID 173392719
2-methylicosa-11,14-dienamide
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(9Z,12Z,15Z)-3-methylhenicosa-9,12,15-trien-4-one
CID 155312053
(E)-2-methyloctadec-9-enamide
CID 19371032
(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
CID 158497587
21-hydroxytetraconta-6,9,31,34-tetraen-20-one
CID 123515424
(4E,7E,10E,13E,16Z)-docosa-4,7,10,13,16-pentaenoic acid
CID 122652087
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893
nonadeca-7,10,13-trien-2-ol
CID 54048695
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204

Frequently Asked Questions

What is the IUPAC name of 6-methyltetracosa-10,13,16,19-tetraen-7-one?
The IUPAC name of 6-methyltetracosa-10,13,16,19-tetraen-7-one (CID 123315985) is 6-methyltetracosa-10,13,16,19-tetraen-7-one.
What is the SMILES notation for 6-methyltetracosa-10,13,16,19-tetraen-7-one?
The canonical SMILES for 6-methyltetracosa-10,13,16,19-tetraen-7-one is CCCCC=CCC=CCC=CCC=CCCC(=O)C(C)CCCCC.
What is the InChIKey of 6-methyltetracosa-10,13,16,19-tetraen-7-one?
The InChIKey is LFRUMDDSXQQZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)24(3)22-20-7-5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3.
What are the key properties of 6-methyltetracosa-10,13,16,19-tetraen-7-one?
6-methyltetracosa-10,13,16,19-tetraen-7-one has a molecular weight of 358.61 g/mol, XLogP of 8.14, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltetracosa-10,13,16,19-tetraen-7-one is sourced from PubChem (CID 123315985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).