(3-chloro-1-methylcyclopentyl)cycloheptane

C13H23Cl — CID 116540220

IUPAC(3-chloro-1-methylcyclopentyl)cycloheptane
SMILESCC1(C2CCCCCC2)CCC(Cl)C1
InChIInChI=1S/C13H23Cl/c1-13(9-8-12(14)10-13)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3
InChIKeyXIKIZNVBKNFYAT-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.75
Rot. Bonds1

About (3-chloro-1-methylcyclopentyl)cycloheptane

(3-chloro-1-methylcyclopentyl)cycloheptane (PubChem CID 116540220) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is (3-chloro-1-methylcyclopentyl)cycloheptane.

Molecular Properties

Compound Name(3-chloro-1-methylcyclopentyl)cycloheptane
PubChem CID116540220
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name(3-chloro-1-methylcyclopentyl)cycloheptane
SMILESCC1(C2CCCCCC2)CCC(Cl)C1
InChIInChI=1S/C13H23Cl/c1-13(9-8-12(14)10-13)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3
InChIKeyXIKIZNVBKNFYAT-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.75
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 (3-chloro-1-methylcyclopentyl)cycloheptane?
The IUPAC name of (3-chloro-1-methylcyclopentyl)cycloheptane (CID 116540220) is (3-chloro-1-methylcyclopentyl)cycloheptane.
What is the SMILES notation for (3-chloro-1-methylcyclopentyl)cycloheptane?
The canonical SMILES for (3-chloro-1-methylcyclopentyl)cycloheptane is CC1(C2CCCCCC2)CCC(Cl)C1.
What is the InChIKey of (3-chloro-1-methylcyclopentyl)cycloheptane?
The InChIKey is XIKIZNVBKNFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-13(9-8-12(14)10-13)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3.
What are the key properties of (3-chloro-1-methylcyclopentyl)cycloheptane?
(3-chloro-1-methylcyclopentyl)cycloheptane has a molecular weight of 214.78 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylcyclopentyl)cycloheptane is sourced from PubChem (CID 116540220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).