1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene

C24H34 — CID 123605805

IUPAC1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCC1=CC=C(c2ccc(CCC(C)CCC=C(C)C)cc2)CC1
InChIInChI=1S/C24H34/c1-5-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-9-20(4)8-6-7-19(2)3/h7,11,13-15,17-18,20H,5-6,8-10,12,16H2,1-4H3
InChIKeyWXCILKITDICABK-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.52
Rot. Bonds8

About 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene

1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 123605805) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID123605805
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCC1=CC=C(c2ccc(CCC(C)CCC=C(C)C)cc2)CC1
InChIInChI=1S/C24H34/c1-5-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-9-20(4)8-6-7-19(2)3/h7,11,13-15,17-18,20H,5-6,8-10,12,16H2,1-4H3
InChIKeyWXCILKITDICABK-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene (CID 123605805) is 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene is CCC1=CC=C(c2ccc(CCC(C)CCC=C(C)C)cc2)CC1.
What is the InChIKey of 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is WXCILKITDICABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-5-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-9-20(4)8-6-7-19(2)3/h7,11,13-15,17-18,20H,5-6,8-10,12,16H2,1-4H3.
What are the key properties of 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene?
1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 322.54 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloct-6-enyl)-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 123605805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).