2-[2-(chloromethyl)-2-methylpentyl]thiophene

C11H17ClS — CID 66035583

IUPAC2-[2-(chloromethyl)-2-methylpentyl]thiophene
SMILESCCCC(C)(CCl)Cc1cccs1
InChIInChI=1S/C11H17ClS/c1-3-6-11(2,9-12)8-10-5-4-7-13-10/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyOMNIXRHZDCZKQL-UHFFFAOYSA-N
MW216.78 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-(chloromethyl)-2-methylpentyl]thiophene

2-[2-(chloromethyl)-2-methylpentyl]thiophene (PubChem CID 66035583) has the molecular formula C11H17ClS and a molecular weight of 216.78 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-2-methylpentyl]thiophene.

Molecular Properties

Compound Name2-[2-(chloromethyl)-2-methylpentyl]thiophene
PubChem CID66035583
Molecular FormulaC11H17ClS
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Name2-[2-(chloromethyl)-2-methylpentyl]thiophene
SMILESCCCC(C)(CCl)Cc1cccs1
InChIInChI=1S/C11H17ClS/c1-3-6-11(2,9-12)8-10-5-4-7-13-10/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyOMNIXRHZDCZKQL-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447054
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-2-methylpentyl]thiophene?
The IUPAC name of 2-[2-(chloromethyl)-2-methylpentyl]thiophene (CID 66035583) is 2-[2-(chloromethyl)-2-methylpentyl]thiophene.
What is the SMILES notation for 2-[2-(chloromethyl)-2-methylpentyl]thiophene?
The canonical SMILES for 2-[2-(chloromethyl)-2-methylpentyl]thiophene is CCCC(C)(CCl)Cc1cccs1.
What is the InChIKey of 2-[2-(chloromethyl)-2-methylpentyl]thiophene?
The InChIKey is OMNIXRHZDCZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClS/c1-3-6-11(2,9-12)8-10-5-4-7-13-10/h4-5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)-2-methylpentyl]thiophene?
2-[2-(chloromethyl)-2-methylpentyl]thiophene has a molecular weight of 216.78 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-2-methylpentyl]thiophene is sourced from PubChem (CID 66035583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).