(2R,6R)-4-chloro-2,6-dimethyloxane

C7H13ClO — CID 124564332

IUPAC(2R,6R)-4-chloro-2,6-dimethyloxane
SMILESC[C@@H]1CC(Cl)C[C@@H](C)O1
InChIInChI=1S/C7H13ClO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyDXCQFCUGRWDOJU-PHDIDXHHSA-N
MW148.63 g/mol
LogP2.18
Rot. Bonds

About (2R,6R)-4-chloro-2,6-dimethyloxane

(2R,6R)-4-chloro-2,6-dimethyloxane (PubChem CID 124564332) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (2R,6R)-4-chloro-2,6-dimethyloxane.

Molecular Properties

Compound Name(2R,6R)-4-chloro-2,6-dimethyloxane
PubChem CID124564332
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(2R,6R)-4-chloro-2,6-dimethyloxane
SMILESC[C@@H]1CC(Cl)C[C@@H](C)O1
InChIInChI=1S/C7H13ClO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyDXCQFCUGRWDOJU-PHDIDXHHSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6R)-4-chloro-2,6-dimethyloxane 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

2-(Chloromethyl)tetrahydro-2H-pyran
CID 97738
3-Chloro-2-ethyloxane
CID 190301
4-Chloro-2,6-dimethyloxane
CID 13549667
3-Chloro-2-methyloxane
CID 12536720
2-Butyl-3-chlorotetrahydropyran
CID 12536725
2-(Chloromethyl)-5-ethyloxolane
CID 76225124
2-Chloro-6-methyltetrahydropyran
CID 14157727
(2S,3S)-3-chloro-2-ethyloxane
CID 131044922
(2S,3R)-3-chloro-2-ethyloxane
CID 131051155
(2S,3R)-2-(chloromethyl)-3-fluorooxane
CID 71414907
(2S,3S)-2-(chloromethyl)-3-fluorooxane
CID 101136292
(2R,4S)-4-chloro-2-methyloxane
CID 643021

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-chloro-2,6-dimethyloxane?
The IUPAC name of (2R,6R)-4-chloro-2,6-dimethyloxane (CID 124564332) is (2R,6R)-4-chloro-2,6-dimethyloxane.
What is the SMILES notation for (2R,6R)-4-chloro-2,6-dimethyloxane?
The canonical SMILES for (2R,6R)-4-chloro-2,6-dimethyloxane is C[C@@H]1CC(Cl)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-chloro-2,6-dimethyloxane?
The InChIKey is DXCQFCUGRWDOJU-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13ClO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,6R)-4-chloro-2,6-dimethyloxane?
(2R,6R)-4-chloro-2,6-dimethyloxane has a molecular weight of 148.63 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-chloro-2,6-dimethyloxane is sourced from PubChem (CID 124564332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).