6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one

C23H36O — CID 54479411

IUPAC6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
SMILESCC(=O)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H36O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h10-11,13,15,17-18H,7-9,12,14,16H2,1-6H3
InChIKeyXNXYJKYMTPDZRM-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.28
Rot. Bonds11

About 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one

6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one (PubChem CID 54479411) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one.

Molecular Properties

Compound Name6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
PubChem CID54479411
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
SMILESCC(=O)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H36O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h10-11,13,15,17-18H,7-9,12,14,16H2,1-6H3
InChIKeyXNXYJKYMTPDZRM-UHFFFAOYSA-N
XLogP7.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
(2E,4E,6E,10E)-7,11,15-trimethyl-3-(111C)methylhexadeca-2,4,6,10,14-pentaenoic acid
CID 170653107
(10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 162342692
(2E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 173398682
ethyl 5,9,13-trimethyltetradeca-2,4,8,12-tetraenoate
CID 54454310
2,8,12-trimethyltrideca-5,7,11-trien-4-one
CID 54329025
methyl (2E,4E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,4,6,10,14,18-hexaenoate
CID 22168238
acetylene;(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one;(4E,6E)-3,7,11-trimethyldodeca-4,6,10-trien-1-yn-3-ol
CID 158821892
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
CID 88635558
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328

Frequently Asked Questions

What is the IUPAC name of 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one?
The IUPAC name of 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one (CID 54479411) is 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one.
What is the SMILES notation for 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one?
The canonical SMILES for 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one is CC(=O)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one?
The InChIKey is XNXYJKYMTPDZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h10-11,13,15,17-18H,7-9,12,14,16H2,1-6H3.
What are the key properties of 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one?
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one has a molecular weight of 328.54 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one is sourced from PubChem (CID 54479411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).