chloromethyl 2-methylcyclohexane-1-carboxylate

C9H15ClO2 — CID 141258978

IUPACchloromethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)OCCl
InChIInChI=1S/C9H15ClO2/c1-7-4-2-3-5-8(7)9(11)12-6-10/h7-8H,2-6H2,1H3
InChIKeyMGWTZPJWIMDAAI-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.55
Rot. Bonds2

About chloromethyl 2-methylcyclohexane-1-carboxylate

chloromethyl 2-methylcyclohexane-1-carboxylate (PubChem CID 141258978) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is chloromethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namechloromethyl 2-methylcyclohexane-1-carboxylate
PubChem CID141258978
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Namechloromethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)OCCl
InChIInChI=1S/C9H15ClO2/c1-7-4-2-3-5-8(7)9(11)12-6-10/h7-8H,2-6H2,1H3
InChIKeyMGWTZPJWIMDAAI-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 chloromethyl 2-methylcyclohexane-1-carboxylate?
The IUPAC name of chloromethyl 2-methylcyclohexane-1-carboxylate (CID 141258978) is chloromethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for chloromethyl 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for chloromethyl 2-methylcyclohexane-1-carboxylate is CC1CCCCC1C(=O)OCCl.
What is the InChIKey of chloromethyl 2-methylcyclohexane-1-carboxylate?
The InChIKey is MGWTZPJWIMDAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-7-4-2-3-5-8(7)9(11)12-6-10/h7-8H,2-6H2,1H3.
What are the key properties of chloromethyl 2-methylcyclohexane-1-carboxylate?
chloromethyl 2-methylcyclohexane-1-carboxylate has a molecular weight of 190.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 141258978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).