4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene

C33H54 — CID 91034090

IUPAC4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene
SMILESC=CC1(CCC=C(C)CCC=C(C)CCCC)CC=C(CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C33H54/c1-8-10-16-29(5)18-12-19-31(7)21-14-25-33(9-2)26-23-32(24-27-33)22-13-20-30(6)17-11-15-28(3)4/h9,15,18,20-21,23H,2,8,10-14,16-17,19,22,24-27H2,1,3-7H3
InChIKeyYABOXWRCAOGPCP-UHFFFAOYSA-N
MW450.80 g/mol
LogP11.39
Rot. Bonds16

About 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene

4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene (PubChem CID 91034090) has the molecular formula C33H54 and a molecular weight of 450.80 g/mol. Its IUPAC name is 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene.

Molecular Properties

Compound Name4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene
PubChem CID91034090
Molecular FormulaC33H54
Molecular Weight450.80 g/mol
Exact Mass450.42
IUPAC Name4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene
SMILESC=CC1(CCC=C(C)CCC=C(C)CCCC)CC=C(CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C33H54/c1-8-10-16-29(5)18-12-19-31(7)21-14-25-33(9-2)26-23-32(24-27-33)22-13-20-30(6)17-11-15-28(3)4/h9,15,18,20-21,23H,2,8,10-14,16-17,19,22,24-27H2,1,3-7H3
InChIKeyYABOXWRCAOGPCP-UHFFFAOYSA-N
XLogP11.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.80
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene with MolForge

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Related Compounds

1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene
CID 76580476
4,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 143132171
1,4-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenylcyclohexene;1,5-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-5-ethenylcyclohexene;1,3-bis(4,8-dimethylnonyl)-1-ethylcyclohexane;1,4-bis(4,8-dimethylnonyl)-1-ethylcyclohexane;1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclohexene;1-(4,8-dimethylnonyl)-4-(6,10-dimethylundecan-2-yl)cyclohexane
CID 157419931
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144
dibutyl (1R,2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 90326837
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
butyl-[(6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphanium
CID 158266649
(4aR,8aS)-6-(4-methylpent-3-enyl)-1,2,3,4,5,8-hexahydronaphthalene-4a,8a-diol
CID 102105202
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655

Frequently Asked Questions

What is the IUPAC name of 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene?
The IUPAC name of 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene (CID 91034090) is 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene.
What is the SMILES notation for 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene?
The canonical SMILES for 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene is C=CC1(CCC=C(C)CCC=C(C)CCCC)CC=C(CCC=C(C)CCC=C(C)C)CC1.
What is the InChIKey of 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene?
The InChIKey is YABOXWRCAOGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54/c1-8-10-16-29(5)18-12-19-31(7)21-14-25-33(9-2)26-23-32(24-27-33)22-13-20-30(6)17-11-15-28(3)4/h9,15,18,20-21,23H,2,8,10-14,16-17,19,22,24-27H2,1,3-7H3.
What are the key properties of 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene?
4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene has a molecular weight of 450.80 g/mol, XLogP of 11.39, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene is sourced from PubChem (CID 91034090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).