1-chloro-2-methylcyclopentane

C6H11Cl — CID 21400133

IUPAC1-chloro-2-methylcyclopentane
SMILESCC1CCCC1Cl
InChIInChI=1S/C6H11Cl/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyCPIMINDBYZRRPO-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds

About 1-chloro-2-methylcyclopentane

1-chloro-2-methylcyclopentane (PubChem CID 21400133) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 1-chloro-2-methylcyclopentane.

Molecular Properties

Compound Name1-chloro-2-methylcyclopentane
PubChem CID21400133
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name1-chloro-2-methylcyclopentane
SMILESCC1CCCC1Cl
InChIInChI=1S/C6H11Cl/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyCPIMINDBYZRRPO-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclopentane?
The IUPAC name of 1-chloro-2-methylcyclopentane (CID 21400133) is 1-chloro-2-methylcyclopentane.
What is the SMILES notation for 1-chloro-2-methylcyclopentane?
The canonical SMILES for 1-chloro-2-methylcyclopentane is CC1CCCC1Cl.
What is the InChIKey of 1-chloro-2-methylcyclopentane?
The InChIKey is CPIMINDBYZRRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 1-chloro-2-methylcyclopentane?
1-chloro-2-methylcyclopentane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylcyclopentane is sourced from PubChem (CID 21400133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).