(2S)-2,5-dimethyloxolane

C6H12O — CID 118613003

IUPAC(2S)-2,5-dimethyloxolane
SMILESCC1CC[C@H](C)O1
InChIInChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyOXMIDRBAFOEOQT-ZBHICJROSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds

About (2S)-2,5-dimethyloxolane

(2S)-2,5-dimethyloxolane (PubChem CID 118613003) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2S)-2,5-dimethyloxolane.

Molecular Properties

Compound Name(2S)-2,5-dimethyloxolane
PubChem CID118613003
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2S)-2,5-dimethyloxolane
SMILESCC1CC[C@H](C)O1
InChIInChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1
InChIKeyOXMIDRBAFOEOQT-ZBHICJROSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyloxolane?
The IUPAC name of (2S)-2,5-dimethyloxolane (CID 118613003) is (2S)-2,5-dimethyloxolane.
What is the SMILES notation for (2S)-2,5-dimethyloxolane?
The canonical SMILES for (2S)-2,5-dimethyloxolane is CC1CC[C@H](C)O1.
What is the InChIKey of (2S)-2,5-dimethyloxolane?
The InChIKey is OXMIDRBAFOEOQT-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6?/m0/s1.
What are the key properties of (2S)-2,5-dimethyloxolane?
(2S)-2,5-dimethyloxolane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyloxolane is sourced from PubChem (CID 118613003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).