2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone

C10H17ClO2 — CID 151738393

IUPAC2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)COCCl)CCCCC1
InChIInChI=1S/C10H17ClO2/c1-10(5-3-2-4-6-10)9(12)7-13-8-11/h2-8H2,1H3
InChIKeyRLZYOANVJPZTGG-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.74
Rot. Bonds4

About 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone

2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone (PubChem CID 151738393) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone
PubChem CID151738393
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)COCCl)CCCCC1
InChIInChI=1S/C10H17ClO2/c1-10(5-3-2-4-6-10)9(12)7-13-8-11/h2-8H2,1H3
InChIKeyRLZYOANVJPZTGG-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.74
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 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone?
The IUPAC name of 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone (CID 151738393) is 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone is CC1(C(=O)COCCl)CCCCC1.
What is the InChIKey of 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone?
The InChIKey is RLZYOANVJPZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-10(5-3-2-4-6-10)9(12)7-13-8-11/h2-8H2,1H3.
What are the key properties of 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone?
2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone has a molecular weight of 204.70 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone is sourced from PubChem (CID 151738393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).