(2S,3S)-3-methoxy-2-methyloxolane

C6H12O2 — CID 54298033

IUPAC(2S,3S)-3-methoxy-2-methyloxolane
SMILESCO[C@H]1CCO[C@H]1C
InChIInChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeySCDZJGDQQRNLPE-WDSKDSINSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds1

About (2S,3S)-3-methoxy-2-methyloxolane

(2S,3S)-3-methoxy-2-methyloxolane (PubChem CID 54298033) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-methyloxolane.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-methyloxolane
PubChem CID54298033
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S,3S)-3-methoxy-2-methyloxolane
SMILESCO[C@H]1CCO[C@H]1C
InChIInChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeySCDZJGDQQRNLPE-WDSKDSINSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-methyloxolane?
The IUPAC name of (2S,3S)-3-methoxy-2-methyloxolane (CID 54298033) is (2S,3S)-3-methoxy-2-methyloxolane.
What is the SMILES notation for (2S,3S)-3-methoxy-2-methyloxolane?
The canonical SMILES for (2S,3S)-3-methoxy-2-methyloxolane is CO[C@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3S)-3-methoxy-2-methyloxolane?
The InChIKey is SCDZJGDQQRNLPE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2-methyloxolane?
(2S,3S)-3-methoxy-2-methyloxolane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-methyloxolane is sourced from PubChem (CID 54298033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).