[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene

C28H42S — CID 155238493

IUPAC[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene
SMILESCCC(C)(CC/C=C1\CC1(CC)CCC=C(C)C)/C(C)=C/CSc1ccccc1
InChIInChI=1S/C28H42S/c1-7-27(6,24(5)18-21-29-26-16-10-9-11-17-26)19-13-15-25-22-28(25,8-2)20-12-14-23(3)4/h9-11,14-18H,7-8,12-13,19-22H2,1-6H3/b24-18+,25-15+
InChIKeyOWJZSOMXRRSKAV-ZZYMIXOGSA-N
MW410.71 g/mol
LogP9.39
Rot. Bonds12

About [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene

[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene (PubChem CID 155238493) has the molecular formula C28H42S and a molecular weight of 410.71 g/mol. Its IUPAC name is [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene
PubChem CID155238493
Molecular FormulaC28H42S
Molecular Weight410.71 g/mol
Exact Mass410.30
IUPAC Name[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene
SMILESCCC(C)(CC/C=C1\CC1(CC)CCC=C(C)C)/C(C)=C/CSc1ccccc1
InChIInChI=1S/C28H42S/c1-7-27(6,24(5)18-21-29-26-16-10-9-11-17-26)19-13-15-25-22-28(25,8-2)20-12-14-23(3)4/h9-11,14-18H,7-8,12-13,19-22H2,1-6H3/b24-18+,25-15+
InChIKeyOWJZSOMXRRSKAV-ZZYMIXOGSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.71
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene?
The IUPAC name of [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene (CID 155238493) is [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene?
The canonical SMILES for [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene is CCC(C)(CC/C=C1\CC1(CC)CCC=C(C)C)/C(C)=C/CSc1ccccc1.
What is the InChIKey of [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene?
The InChIKey is OWJZSOMXRRSKAV-ZZYMIXOGSA-N. The full InChI is InChI=1S/C28H42S/c1-7-27(6,24(5)18-21-29-26-16-10-9-11-17-26)19-13-15-25-22-28(25,8-2)20-12-14-23(3)4/h9-11,14-18H,7-8,12-13,19-22H2,1-6H3/b24-18+,25-15+.
What are the key properties of [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene?
[(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene has a molecular weight of 410.71 g/mol, XLogP of 9.39, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,7E)-4-ethyl-7-[2-ethyl-2-(4-methylpent-3-enyl)cyclopropylidene]-3,4-dimethylhept-2-enyl]sulfanylbenzene is sourced from PubChem (CID 155238493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).