chloromethane;cyclohexanecarboxylic acid

C8H15ClO2 — CID 160928112

IUPACchloromethane;cyclohexanecarboxylic acid
SMILESCCl.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.CH3Cl/c8-7(9)6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3
InChIKeySSXGHFGOZJEZLZ-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.51
Rot. Bonds1

About chloromethane;cyclohexanecarboxylic acid

chloromethane;cyclohexanecarboxylic acid (PubChem CID 160928112) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is chloromethane;cyclohexanecarboxylic acid.

Molecular Properties

Compound Namechloromethane;cyclohexanecarboxylic acid
PubChem CID160928112
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Namechloromethane;cyclohexanecarboxylic acid
SMILESCCl.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.CH3Cl/c8-7(9)6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3
InChIKeySSXGHFGOZJEZLZ-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloromethane;cyclohexanecarboxylic acid?
The IUPAC name of chloromethane;cyclohexanecarboxylic acid (CID 160928112) is chloromethane;cyclohexanecarboxylic acid.
What is the SMILES notation for chloromethane;cyclohexanecarboxylic acid?
The canonical SMILES for chloromethane;cyclohexanecarboxylic acid is CCl.O=C(O)C1CCCCC1.
What is the InChIKey of chloromethane;cyclohexanecarboxylic acid?
The InChIKey is SSXGHFGOZJEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.CH3Cl/c8-7(9)6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3.
What are the key properties of chloromethane;cyclohexanecarboxylic acid?
chloromethane;cyclohexanecarboxylic acid has a molecular weight of 178.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;cyclohexanecarboxylic acid is sourced from PubChem (CID 160928112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).