(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal

C30H50O2 — CID 10527202

IUPAC(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal
SMILESCC(C)=CCCC(C=O)CCC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C30H50O2/c1-24(2)13-10-19-28(23-31)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-30(6,7)32-29/h13-15,17,23,28-29H,8-12,16,18-22H2,1-7H3/b25-14+,26-15+,27-17+
InChIKeyKQUFWTSJFPFHRJ-YWVAEKJXSA-N
MW442.73 g/mol
LogP9.08
Rot. Bonds17

About (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal

(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal (PubChem CID 10527202) has the molecular formula C30H50O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal.

Molecular Properties

Compound Name(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal
PubChem CID10527202
Molecular FormulaC30H50O2
Molecular Weight442.73 g/mol
Exact Mass442.38
IUPAC Name(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal
SMILESCC(C)=CCCC(C=O)CCC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C30H50O2/c1-24(2)13-10-19-28(23-31)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-30(6,7)32-29/h13-15,17,23,28-29H,8-12,16,18-22H2,1-7H3/b25-14+,26-15+,27-17+
InChIKeyKQUFWTSJFPFHRJ-YWVAEKJXSA-N
XLogP9.08
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal 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

(2E,6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-2,6,10,14-tetraenal
CID 10836859
3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
CID 162821747
2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)-14-tritiotetradeca-3,7,11-trienyl]oxirane
CID 11797730
(3S)-3-[(3E,7E,11E,13E,15E,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaenyl]-2,2-dimethyloxirane
CID 163021444
(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
(5E,9E)-12-[(2R)-3,3-dimethyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-one
CID 6446781
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
(3S)-3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 11783576
3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 168749328
3-[(3E,11E,15E)-16-ethynyl-3,7,12,19-tetramethylicosa-3,7,11,15,18-pentaenyl]-2,2-dimethyloxirane
CID 10025289
3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaenyl]-2,2-dimethyloxirane
CID 131751261
2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methyl-5-tritiohept-5-en-2-yl)sulfanyltetradeca-3,7,11-trienyl]oxirane
CID 11797731

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal?
The IUPAC name of (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal (CID 10527202) is (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal.
What is the SMILES notation for (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal?
The canonical SMILES for (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal is CC(C)=CCCC(C=O)CCC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C.
What is the InChIKey of (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal?
The InChIKey is KQUFWTSJFPFHRJ-YWVAEKJXSA-N. The full InChI is InChI=1S/C30H50O2/c1-24(2)13-10-19-28(23-31)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-30(6,7)32-29/h13-15,17,23,28-29H,8-12,16,18-22H2,1-7H3/b25-14+,26-15+,27-17+.
What are the key properties of (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal?
(6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal has a molecular weight of 442.73 g/mol, XLogP of 9.08, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-17-(3,3-dimethyloxiran-2-yl)-6,11,15-trimethyl-2-(4-methylpent-3-enyl)heptadeca-6,10,14-trienal is sourced from PubChem (CID 10527202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).