(2S,4R)-2,4-dimethyloxolane

C6H12O — CID 6432406

IUPAC(2S,4R)-2,4-dimethyloxolane
SMILESC[C@H]1CO[C@@H](C)C1
InChIInChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyQMGLMRPHOITLSN-RITPCOANSA-N
MW100.16 g/mol
LogP1.43
Rot. Bonds

About (2S,4R)-2,4-dimethyloxolane

(2S,4R)-2,4-dimethyloxolane (PubChem CID 6432406) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2S,4R)-2,4-dimethyloxolane.

Molecular Properties

Compound Name(2S,4R)-2,4-dimethyloxolane
PubChem CID6432406
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2S,4R)-2,4-dimethyloxolane
SMILESC[C@H]1CO[C@@H](C)C1
InChIInChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyQMGLMRPHOITLSN-RITPCOANSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,4R)-2,4-dimethyloxolane 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-Methyltetrahydrofuran
CID 7301
2,2-Dimethyloxolane
CID 136791
2-Methyltetrahydrofuran, (R)-
CID 641521
2-Methyltetrahydrofuran, (S)-
CID 7568485
2,4-Dimethyltetrahydrofuran
CID 520942
3-Ethyltetrahydrofuran
CID 10996972
2-Isopropyloxetane
CID 537236
2,2,5-Trimethyloxolane
CID 13172504
2-Ethyl-4-methyltetrahydrofuran
CID 59018485
2-Ethyl-3-methyloxetane
CID 40894
4-Ethyltetrahydro-2-methylfuran
CID 13334303
2,3-Dimethyloxolane
CID 13487342

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dimethyloxolane?
The IUPAC name of (2S,4R)-2,4-dimethyloxolane (CID 6432406) is (2S,4R)-2,4-dimethyloxolane.
What is the SMILES notation for (2S,4R)-2,4-dimethyloxolane?
The canonical SMILES for (2S,4R)-2,4-dimethyloxolane is C[C@H]1CO[C@@H](C)C1.
What is the InChIKey of (2S,4R)-2,4-dimethyloxolane?
The InChIKey is QMGLMRPHOITLSN-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2,4-dimethyloxolane?
(2S,4R)-2,4-dimethyloxolane has a molecular weight of 100.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dimethyloxolane is sourced from PubChem (CID 6432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).