2-(5-chloro-5-cyclopropylpentyl)thiophene

C12H17ClS — CID 64507542

IUPAC2-(5-chloro-5-cyclopropylpentyl)thiophene
SMILESClC(CCCCc1cccs1)C1CC1
InChIInChI=1S/C12H17ClS/c13-12(10-7-8-10)6-2-1-4-11-5-3-9-14-11/h3,5,9-10,12H,1-2,4,6-8H2
InChIKeyQHNAHPBSRYIOGL-UHFFFAOYSA-N
MW228.79 g/mol
LogP4.48
Rot. Bonds6

About 2-(5-chloro-5-cyclopropylpentyl)thiophene

2-(5-chloro-5-cyclopropylpentyl)thiophene (PubChem CID 64507542) has the molecular formula C12H17ClS and a molecular weight of 228.79 g/mol. Its IUPAC name is 2-(5-chloro-5-cyclopropylpentyl)thiophene.

Molecular Properties

Compound Name2-(5-chloro-5-cyclopropylpentyl)thiophene
PubChem CID64507542
Molecular FormulaC12H17ClS
Molecular Weight228.79 g/mol
Exact Mass228.07
IUPAC Name2-(5-chloro-5-cyclopropylpentyl)thiophene
SMILESClC(CCCCc1cccs1)C1CC1
InChIInChI=1S/C12H17ClS/c13-12(10-7-8-10)6-2-1-4-11-5-3-9-14-11/h3,5,9-10,12H,1-2,4,6-8H2
InChIKeyQHNAHPBSRYIOGL-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
2-(5-chloropentyl)thiophene
CID 4912993
2-(6-ethenyloct-7-enyl)thiophene
CID 68786861
7-thiophen-2-ylheptan-3-amine
CID 64505571
2-(4-cyclohexylbutyl)thiophene
CID 142713613
8-thiophen-2-yloctan-4-ol
CID 64516293
2-(4-fluorobutyl)thiophene
CID 67851736
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine
CID 66461611
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
20-thiophen-2-ylicosane-1-thiol
CID 15444594

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-5-cyclopropylpentyl)thiophene?
The IUPAC name of 2-(5-chloro-5-cyclopropylpentyl)thiophene (CID 64507542) is 2-(5-chloro-5-cyclopropylpentyl)thiophene.
What is the SMILES notation for 2-(5-chloro-5-cyclopropylpentyl)thiophene?
The canonical SMILES for 2-(5-chloro-5-cyclopropylpentyl)thiophene is ClC(CCCCc1cccs1)C1CC1.
What is the InChIKey of 2-(5-chloro-5-cyclopropylpentyl)thiophene?
The InChIKey is QHNAHPBSRYIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClS/c13-12(10-7-8-10)6-2-1-4-11-5-3-9-14-11/h3,5,9-10,12H,1-2,4,6-8H2.
What are the key properties of 2-(5-chloro-5-cyclopropylpentyl)thiophene?
2-(5-chloro-5-cyclopropylpentyl)thiophene has a molecular weight of 228.79 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-5-cyclopropylpentyl)thiophene is sourced from PubChem (CID 64507542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).