3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene

C20H32S — CID 11771158

IUPAC3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
SMILESCCC/C=C(CCC)/C(CCC)=C(/CCC)c1ccsc1
InChIInChI=1S/C20H32S/c1-5-9-13-17(10-6-2)19(11-7-3)20(12-8-4)18-14-15-21-16-18/h13-16H,5-12H2,1-4H3/b17-13+,20-19-
InChIKeyNBOCREXFTBSSBU-YWKYIXQJSA-N
MW304.54 g/mol
LogP7.63
Rot. Bonds10

About 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene

3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene (PubChem CID 11771158) has the molecular formula C20H32S and a molecular weight of 304.54 g/mol. Its IUPAC name is 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene.

Molecular Properties

Compound Name3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
PubChem CID11771158
Molecular FormulaC20H32S
Molecular Weight304.54 g/mol
Exact Mass304.22
IUPAC Name3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
SMILESCCC/C=C(CCC)/C(CCC)=C(/CCC)c1ccsc1
InChIInChI=1S/C20H32S/c1-5-9-13-17(10-6-2)19(11-7-3)20(12-8-4)18-14-15-21-16-18/h13-16H,5-12H2,1-4H3/b17-13+,20-19-
InChIKeyNBOCREXFTBSSBU-YWKYIXQJSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene 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 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene?
The IUPAC name of 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene (CID 11771158) is 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene.
What is the SMILES notation for 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene?
The canonical SMILES for 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene is CCC/C=C(CCC)/C(CCC)=C(/CCC)c1ccsc1.
What is the InChIKey of 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene?
The InChIKey is NBOCREXFTBSSBU-YWKYIXQJSA-N. The full InChI is InChI=1S/C20H32S/c1-5-9-13-17(10-6-2)19(11-7-3)20(12-8-4)18-14-15-21-16-18/h13-16H,5-12H2,1-4H3/b17-13+,20-19-.
What are the key properties of 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene?
3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene has a molecular weight of 304.54 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene is sourced from PubChem (CID 11771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).