1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene

C30H48 — CID 76580476

IUPAC1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene
SMILESC=CC1(CCC=C(C)CCC=C(C)C)CCC=C(CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C30H48/c1-8-30(22-12-19-28(7)17-10-15-26(4)5)23-13-21-29(24-30)20-11-18-27(6)16-9-14-25(2)3/h8,14-15,18-19,21H,1,9-13,16-17,20,22-24H2,2-7H3
InChIKeySIQOXBZZKDYYHJ-UHFFFAOYSA-N
MW408.71 g/mol
LogP10.21
Rot. Bonds13

About 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene

1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene (PubChem CID 76580476) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene.

Molecular Properties

Compound Name1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene
PubChem CID76580476
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene
SMILESC=CC1(CCC=C(C)CCC=C(C)C)CCC=C(CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C30H48/c1-8-30(22-12-19-28(7)17-10-15-26(4)5)23-13-21-29(24-30)20-11-18-27(6)16-9-14-25(2)3/h8,14-15,18-19,21H,1,9-13,16-17,20,22-24H2,2-7H3
InChIKeySIQOXBZZKDYYHJ-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4,8-dimethyldodeca-3,7-dienyl)-1-(4,8-dimethylnona-3,7-dienyl)-4-ethenylcyclohexene
CID 91034090
2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
CID 71323597
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] formate
CID 175053565
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
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
methyl 3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 161325290
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde
CID 162436720
[(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol
CID 162436727
(4aR,8aS)-6-(4-methylpent-3-enyl)-1,2,3,4,5,8-hexahydronaphthalene-4a,8a-diol
CID 102105202

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene?
The IUPAC name of 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene (CID 76580476) is 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene.
What is the SMILES notation for 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene?
The canonical SMILES for 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene is C=CC1(CCC=C(C)CCC=C(C)C)CCC=C(CCC=C(C)CCC=C(C)C)C1.
What is the InChIKey of 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene?
The InChIKey is SIQOXBZZKDYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-8-30(22-12-19-28(7)17-10-15-26(4)5)23-13-21-29(24-30)20-11-18-27(6)16-9-14-25(2)3/h8,14-15,18-19,21H,1,9-13,16-17,20,22-24H2,2-7H3.
What are the key properties of 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene?
1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene has a molecular weight of 408.71 g/mol, XLogP of 10.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene is sourced from PubChem (CID 76580476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).