2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene

C18H24S — CID 140556735

IUPAC2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene
SMILESCCC=C(C)C(CCC)=C(C)C1C=C2C=CC=C2S1
InChIInChI=1S/C18H24S/c1-5-8-13(3)16(9-6-2)14(4)18-12-15-10-7-11-17(15)19-18/h7-8,10-12,18H,5-6,9H2,1-4H3
InChIKeyDJDCOBYSQZHSIE-UHFFFAOYSA-N
MW272.46 g/mol
LogP5.95
Rot. Bonds5

About 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene

2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene (PubChem CID 140556735) has the molecular formula C18H24S and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene
PubChem CID140556735
Molecular FormulaC18H24S
Molecular Weight272.46 g/mol
Exact Mass272.16
IUPAC Name2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene
SMILESCCC=C(C)C(CCC)=C(C)C1C=C2C=CC=C2S1
InChIInChI=1S/C18H24S/c1-5-8-13(3)16(9-6-2)14(4)18-12-15-10-7-11-17(15)19-18/h7-8,10-12,18H,5-6,9H2,1-4H3
InChIKeyDJDCOBYSQZHSIE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene?
The IUPAC name of 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene (CID 140556735) is 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene is CCC=C(C)C(CCC)=C(C)C1C=C2C=CC=C2S1.
What is the InChIKey of 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene?
The InChIKey is DJDCOBYSQZHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24S/c1-5-8-13(3)16(9-6-2)14(4)18-12-15-10-7-11-17(15)19-18/h7-8,10-12,18H,5-6,9H2,1-4H3.
What are the key properties of 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene?
2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene has a molecular weight of 272.46 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-propylhepta-2,4-dien-2-yl)-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 140556735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).