1-chloro-2-cyclopentylcycloheptane

C12H21Cl — CID 63511633

IUPAC1-chloro-2-cyclopentylcycloheptane
SMILESClC1CCCCCC1C1CCCC1
InChIInChI=1S/C12H21Cl/c13-12-9-3-1-2-8-11(12)10-6-4-5-7-10/h10-12H,1-9H2
InChIKeyZEEOFVLQJPVEKT-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.36
Rot. Bonds1

About 1-chloro-2-cyclopentylcycloheptane

1-chloro-2-cyclopentylcycloheptane (PubChem CID 63511633) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is 1-chloro-2-cyclopentylcycloheptane.

Molecular Properties

Compound Name1-chloro-2-cyclopentylcycloheptane
PubChem CID63511633
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name1-chloro-2-cyclopentylcycloheptane
SMILESClC1CCCCCC1C1CCCC1
InChIInChI=1S/C12H21Cl/c13-12-9-3-1-2-8-11(12)10-6-4-5-7-10/h10-12H,1-9H2
InChIKeyZEEOFVLQJPVEKT-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.36
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-cyclopentylcycloheptane?
The IUPAC name of 1-chloro-2-cyclopentylcycloheptane (CID 63511633) is 1-chloro-2-cyclopentylcycloheptane.
What is the SMILES notation for 1-chloro-2-cyclopentylcycloheptane?
The canonical SMILES for 1-chloro-2-cyclopentylcycloheptane is ClC1CCCCCC1C1CCCC1.
What is the InChIKey of 1-chloro-2-cyclopentylcycloheptane?
The InChIKey is ZEEOFVLQJPVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl/c13-12-9-3-1-2-8-11(12)10-6-4-5-7-10/h10-12H,1-9H2.
What are the key properties of 1-chloro-2-cyclopentylcycloheptane?
1-chloro-2-cyclopentylcycloheptane has a molecular weight of 200.75 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclopentylcycloheptane is sourced from PubChem (CID 63511633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).