2-chloro-3-methyloxane

C6H11ClO — CID 23124415

IUPAC2-chloro-3-methyloxane
SMILESCC1CCCOC1Cl
InChIInChI=1S/C6H11ClO/c1-5-3-2-4-8-6(5)7/h5-6H,2-4H2,1H3
InChIKeyHOTSKXXSYQHCSZ-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.00
Rot. Bonds

About 2-chloro-3-methyloxane

2-chloro-3-methyloxane (PubChem CID 23124415) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-chloro-3-methyloxane.

Molecular Properties

Compound Name2-chloro-3-methyloxane
PubChem CID23124415
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name2-chloro-3-methyloxane
SMILESCC1CCCOC1Cl
InChIInChI=1S/C6H11ClO/c1-5-3-2-4-8-6(5)7/h5-6H,2-4H2,1H3
InChIKeyHOTSKXXSYQHCSZ-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methyloxane 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

3-(chloromethyl)tetrahydro-2H-pyran
CID 16767489
4-(Chloromethyl)oxane
CID 62386193
4-(2-Chloroethyl)oxane
CID 63937316
3-(Chloromethyl)-4,4-dichlorotetrahydropyran
CID 13099185
2-Chloro-4-methyloxane
CID 12438357
4-Chloro-3-(chloromethyl)oxane
CID 55303155
4-Chloro-3,4-dimethyltetrahydropyran
CID 129788800
(3S,4R)-4-chloro-3-ethyltetrahydro-2H-pyran
CID 643019
2H-pyran, 4-chloro-3-ethyltetrahydro-, (3S,4S)-
CID 643020
(3S,4R)-4-chloro-3-methyloxane
CID 130952407
4-Chloro-3-ethyloxane
CID 13087289
2-Chloro-5-ethyl-3-methyloxane
CID 23124351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxane?
The IUPAC name of 2-chloro-3-methyloxane (CID 23124415) is 2-chloro-3-methyloxane.
What is the SMILES notation for 2-chloro-3-methyloxane?
The canonical SMILES for 2-chloro-3-methyloxane is CC1CCCOC1Cl.
What is the InChIKey of 2-chloro-3-methyloxane?
The InChIKey is HOTSKXXSYQHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-5-3-2-4-8-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-3-methyloxane?
2-chloro-3-methyloxane has a molecular weight of 134.61 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxane is sourced from PubChem (CID 23124415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).