(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial

C35H42O2 — CID 102290425

IUPAC(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C=O
InChIInChI=1S/C35H42O2/c1-29(17-10-19-31(3)21-12-22-33(5)24-14-26-35(7)28-37)15-8-9-16-30(2)18-11-20-32(4)23-13-25-34(6)27-36/h8-28H,1-7H3/b9-8+,17-10+,18-11+,21-12+,23-13+,24-14+,29-15+,30-16+,31-19+,32-20+,33-22+,34-25+,35-26+
InChIKeyMDTWCSWLXVORGK-INZKCQRFSA-N
MW494.72 g/mol
LogP9.35
Rot. Bonds14

About (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial (PubChem CID 102290425) has the molecular formula C35H42O2 and a molecular weight of 494.72 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
PubChem CID102290425
Molecular FormulaC35H42O2
Molecular Weight494.72 g/mol
Exact Mass494.32
IUPAC Name(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C=O
InChIInChI=1S/C35H42O2/c1-29(17-10-19-31(3)21-12-22-33(5)24-14-26-35(7)28-37)15-8-9-16-30(2)18-11-20-32(4)23-13-25-34(6)27-36/h8-28H,1-7H3/b9-8+,17-10+,18-11+,21-12+,23-13+,24-14+,29-15+,30-16+,31-19+,32-20+,33-22+,34-25+,35-26+
InChIKeyMDTWCSWLXVORGK-INZKCQRFSA-N
XLogP9.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 22096555
(2E,4E,6E)-2,7-di((113C)methyl)(1,2,3,4,5,6,7,8-13C8)octa-2,4,6-trienedial
CID 10975976
(2E,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial;(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 158860721
2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial
CID 76625907
4-methylocta-2,4,6-trienedial
CID 74956406
(2E,4Z)-6-chloro-2-methylhepta-2,4,6-trienal
CID 170108495
3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
CID 54453652
(2E,4E,6Z,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
CID 19609195
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(3,7-dimethyl-8-oxoocta-2,4,6-trienyl) acetate
CID 54347723
sodium (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
CID 138319468
ethyl (2E,4E)-5-methyl-6-oxohexa-2,4-dienoate
CID 15397000

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial (CID 102290425) is (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial is C/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C=O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial?
The InChIKey is MDTWCSWLXVORGK-INZKCQRFSA-N. The full InChI is InChI=1S/C35H42O2/c1-29(17-10-19-31(3)21-12-22-33(5)24-14-26-35(7)28-37)15-8-9-16-30(2)18-11-20-32(4)23-13-25-34(6)27-36/h8-28H,1-7H3/b9-8+,17-10+,18-11+,21-12+,23-13+,24-14+,29-15+,30-16+,31-19+,32-20+,33-22+,34-25+,35-26+.
What are the key properties of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial?
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial has a molecular weight of 494.72 g/mol, XLogP of 9.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial is sourced from PubChem (CID 102290425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).