(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene

C18H30 — CID 169000974

IUPAC(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
SMILESCC(C)=CCC/C(C)=C/CCC1=CC[C@@H](C)CC1
InChIInChI=1S/C18H30/c1-15(2)7-5-8-16(3)9-6-10-18-13-11-17(4)12-14-18/h7,9,13,17H,5-6,8,10-12,14H2,1-4H3/b16-9+/t17-/m1/s1
InChIKeyOWYREVZVHFQMMR-JDZKTDJGSA-N
MW246.44 g/mol
LogP6.21
Rot. Bonds6

About (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene

(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene (PubChem CID 169000974) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene.

Molecular Properties

Compound Name(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
PubChem CID169000974
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
SMILESCC(C)=CCC/C(C)=C/CCC1=CC[C@@H](C)CC1
InChIInChI=1S/C18H30/c1-15(2)7-5-8-16(3)9-6-10-18-13-11-17(4)12-14-18/h7,9,13,17H,5-6,8,10-12,14H2,1-4H3/b16-9+/t17-/m1/s1
InChIKeyOWYREVZVHFQMMR-JDZKTDJGSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.21
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

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 88925503
methyl (1R,6S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylcyclohex-3-ene-1-carboxylate
CID 138726323
2-[2-[4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexanecarbonyl]oxyethyl-methylamino]ethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 170059840
methyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methoxycyclohex-3-ene-1-carboxylate
CID 10639444
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144
methyl 3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 161325290
4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
CID 170652574
2-methyl-1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]but-3-en-1-one
CID 70617790
4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene
CID 145063390
1,5-bis(4,8-dimethylnona-3,7-dienyl)-5-ethenylcyclohexene
CID 76580476
dibutyl (1R,2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 90326837
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene?
The IUPAC name of (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene (CID 169000974) is (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene.
What is the SMILES notation for (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene?
The canonical SMILES for (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene is CC(C)=CCC/C(C)=C/CCC1=CC[C@@H](C)CC1.
What is the InChIKey of (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene?
The InChIKey is OWYREVZVHFQMMR-JDZKTDJGSA-N. The full InChI is InChI=1S/C18H30/c1-15(2)7-5-8-16(3)9-6-10-18-13-11-17(4)12-14-18/h7,9,13,17H,5-6,8,10-12,14H2,1-4H3/b16-9+/t17-/m1/s1.
What are the key properties of (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene?
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene has a molecular weight of 246.44 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene is sourced from PubChem (CID 169000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).