2-(5-chloro-2-methylpent-2-enyl)thiophene

C10H13ClS — CID 79591993

IUPAC2-(5-chloro-2-methylpent-2-enyl)thiophene
SMILESCC(=CCCCl)Cc1cccs1
InChIInChI=1S/C10H13ClS/c1-9(4-2-6-11)8-10-5-3-7-12-10/h3-5,7H,2,6,8H2,1H3
InChIKeyDWCGUDLWVYBFCF-UHFFFAOYSA-N
MW200.73 g/mol
LogP3.87
Rot. Bonds4

About 2-(5-chloro-2-methylpent-2-enyl)thiophene

2-(5-chloro-2-methylpent-2-enyl)thiophene (PubChem CID 79591993) has the molecular formula C10H13ClS and a molecular weight of 200.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methylpent-2-enyl)thiophene.

Molecular Properties

Compound Name2-(5-chloro-2-methylpent-2-enyl)thiophene
PubChem CID79591993
Molecular FormulaC10H13ClS
Molecular Weight200.73 g/mol
Exact Mass200.04
IUPAC Name2-(5-chloro-2-methylpent-2-enyl)thiophene
SMILESCC(=CCCCl)Cc1cccs1
InChIInChI=1S/C10H13ClS/c1-9(4-2-6-11)8-10-5-3-7-12-10/h3-5,7H,2,6,8H2,1H3
InChIKeyDWCGUDLWVYBFCF-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylpent-2-enyl)thiophene?
The IUPAC name of 2-(5-chloro-2-methylpent-2-enyl)thiophene (CID 79591993) is 2-(5-chloro-2-methylpent-2-enyl)thiophene.
What is the SMILES notation for 2-(5-chloro-2-methylpent-2-enyl)thiophene?
The canonical SMILES for 2-(5-chloro-2-methylpent-2-enyl)thiophene is CC(=CCCCl)Cc1cccs1.
What is the InChIKey of 2-(5-chloro-2-methylpent-2-enyl)thiophene?
The InChIKey is DWCGUDLWVYBFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClS/c1-9(4-2-6-11)8-10-5-3-7-12-10/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 2-(5-chloro-2-methylpent-2-enyl)thiophene?
2-(5-chloro-2-methylpent-2-enyl)thiophene has a molecular weight of 200.73 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylpent-2-enyl)thiophene is sourced from PubChem (CID 79591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).