2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane

C12H21ClO — CID 103131719

IUPAC2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane
SMILESCC1CCC(CC2CCCCC2Cl)O1
InChIInChI=1S/C12H21ClO/c1-9-6-7-11(14-9)8-10-4-2-3-5-12(10)13/h9-12H,2-8H2,1H3
InChIKeyBQTSSXMWIXWPQZ-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.74
Rot. Bonds2

About 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane

2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane (PubChem CID 103131719) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane
PubChem CID103131719
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane
SMILESCC1CCC(CC2CCCCC2Cl)O1
InChIInChI=1S/C12H21ClO/c1-9-6-7-11(14-9)8-10-4-2-3-5-12(10)13/h9-12H,2-8H2,1H3
InChIKeyBQTSSXMWIXWPQZ-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(5-methyloxolan-2-yl)methyl]cyclopentan-1-amine
CID 103131753
3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine
CID 103131833
4-methyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-ol
CID 103137306
(2S,5S)-2-[[(2R)-5-fluoro-2-methylcyclohexyl]methyl]-5-methyloxolane
CID 70325719
2-[(5-methyloxolan-2-yl)methyl]pyrrolidine
CID 104687972
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
CID 103131716
[2-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 82835373
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103135848
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 106469406
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
CID 103131852

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane?
The IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane (CID 103131719) is 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane?
The canonical SMILES for 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane is CC1CCC(CC2CCCCC2Cl)O1.
What is the InChIKey of 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane?
The InChIKey is BQTSSXMWIXWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-9-6-7-11(14-9)8-10-4-2-3-5-12(10)13/h9-12H,2-8H2,1H3.
What are the key properties of 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane?
2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane has a molecular weight of 216.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane is sourced from PubChem (CID 103131719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).