(3-chlorocyclopenten-1-yl)methylcyclohexane

C12H19Cl — CID 65175889

IUPAC(3-chlorocyclopenten-1-yl)methylcyclohexane
SMILESClC1C=C(CC2CCCCC2)CC1
InChIInChI=1S/C12H19Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h9-10,12H,1-8H2
InChIKeyZAUSNTUPSHYYRU-UHFFFAOYSA-N
MW198.74 g/mol
LogP4.28
Rot. Bonds2

About (3-chlorocyclopenten-1-yl)methylcyclohexane

(3-chlorocyclopenten-1-yl)methylcyclohexane (PubChem CID 65175889) has the molecular formula C12H19Cl and a molecular weight of 198.74 g/mol. Its IUPAC name is (3-chlorocyclopenten-1-yl)methylcyclohexane.

Molecular Properties

Compound Name(3-chlorocyclopenten-1-yl)methylcyclohexane
PubChem CID65175889
Molecular FormulaC12H19Cl
Molecular Weight198.74 g/mol
Exact Mass198.12
IUPAC Name(3-chlorocyclopenten-1-yl)methylcyclohexane
SMILESClC1C=C(CC2CCCCC2)CC1
InChIInChI=1S/C12H19Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h9-10,12H,1-8H2
InChIKeyZAUSNTUPSHYYRU-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chlorocyclopenten-1-yl)methylcyclohexane?
The IUPAC name of (3-chlorocyclopenten-1-yl)methylcyclohexane (CID 65175889) is (3-chlorocyclopenten-1-yl)methylcyclohexane.
What is the SMILES notation for (3-chlorocyclopenten-1-yl)methylcyclohexane?
The canonical SMILES for (3-chlorocyclopenten-1-yl)methylcyclohexane is ClC1C=C(CC2CCCCC2)CC1.
What is the InChIKey of (3-chlorocyclopenten-1-yl)methylcyclohexane?
The InChIKey is ZAUSNTUPSHYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h9-10,12H,1-8H2.
What are the key properties of (3-chlorocyclopenten-1-yl)methylcyclohexane?
(3-chlorocyclopenten-1-yl)methylcyclohexane has a molecular weight of 198.74 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorocyclopenten-1-yl)methylcyclohexane is sourced from PubChem (CID 65175889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).