trans-(1R,2R)-1-chloro-2-methylcyclohexane

C7H13Cl — CID 643043

IUPACtrans-(1R,2R)-1-chloro-2-methylcyclohexane
SMILESC[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWFJGAWJGPYDUMP-RNFRBKRXSA-N
MW132.63 g/mol
LogP2.80
Rot. Bonds

About trans-(1R,2R)-1-chloro-2-methylcyclohexane

trans-(1R,2R)-1-chloro-2-methylcyclohexane (PubChem CID 643043) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is trans-(1R,2R)-1-chloro-2-methylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-chloro-2-methylcyclohexane
PubChem CID643043
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Nametrans-(1R,2R)-1-chloro-2-methylcyclohexane
SMILESC[C@@H]1CCCC[C@H]1Cl
InChIInChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWFJGAWJGPYDUMP-RNFRBKRXSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.80
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 trans-(1R,2R)-1-chloro-2-methylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-chloro-2-methylcyclohexane (CID 643043) is trans-(1R,2R)-1-chloro-2-methylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-chloro-2-methylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-chloro-2-methylcyclohexane is C[C@@H]1CCCC[C@H]1Cl.
What is the InChIKey of trans-(1R,2R)-1-chloro-2-methylcyclohexane?
The InChIKey is WFJGAWJGPYDUMP-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-chloro-2-methylcyclohexane?
trans-(1R,2R)-1-chloro-2-methylcyclohexane has a molecular weight of 132.63 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-chloro-2-methylcyclohexane is sourced from PubChem (CID 643043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).