3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene

C30H50 — CID 163192672

IUPAC3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC1C(C)CC=CC1(C)C
InChIInChI=1S/C30H50/c1-24(2)14-11-17-26(4)19-12-18-25(3)15-9-10-16-27(5)21-22-29-28(6)20-13-23-30(29,7)8/h13-16,19,23,28-29H,9-12,17-18,20-22H2,1-8H3
InChIKeyHFUJSCGYYUEMFV-UHFFFAOYSA-N
MW410.73 g/mol
LogP10.15
Rot. Bonds12

About 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene

3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene (PubChem CID 163192672) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene.

Molecular Properties

Compound Name3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene
PubChem CID163192672
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC1C(C)CC=CC1(C)C
InChIInChI=1S/C30H50/c1-24(2)14-11-17-26(4)19-12-18-25(3)15-9-10-16-27(5)21-22-29-28(6)20-13-23-30(29,7)8/h13-16,19,23,28-29H,9-12,17-18,20-22H2,1-8H3
InChIKeyHFUJSCGYYUEMFV-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(1S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,2,3,4,4a,8-hexahydronaphthalene
CID 101193647
4,6,6-trimethyl-5-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohex-3-en-1-ol
CID 78412146
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
CID 162821747
2-methyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
CID 173481188
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene?
The IUPAC name of 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene (CID 163192672) is 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene.
What is the SMILES notation for 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene?
The canonical SMILES for 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene is CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC1C(C)CC=CC1(C)C.
What is the InChIKey of 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene?
The InChIKey is HFUJSCGYYUEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50/c1-24(2)14-11-17-26(4)19-12-18-25(3)15-9-10-16-27(5)21-22-29-28(6)20-13-23-30(29,7)8/h13-16,19,23,28-29H,9-12,17-18,20-22H2,1-8H3.
What are the key properties of 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene?
3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene has a molecular weight of 410.73 g/mol, XLogP of 10.15, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-4-(3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)cyclohexene is sourced from PubChem (CID 163192672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).