3-methoxyoxolane

C5H10O2 — CID 14307964

IUPAC3-methoxyoxolane
SMILESCOC1CCOC1
InChIInChI=1S/C5H10O2/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3
InChIKeyNYFCMQOONXYPTH-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.42
Rot. Bonds1

About 3-methoxyoxolane

3-methoxyoxolane (PubChem CID 14307964) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-methoxyoxolane.

Molecular Properties

Compound Name3-methoxyoxolane
PubChem CID14307964
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-methoxyoxolane
SMILESCOC1CCOC1
InChIInChI=1S/C5H10O2/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3
InChIKeyNYFCMQOONXYPTH-UHFFFAOYSA-N
XLogP0.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyoxolane?
The IUPAC name of 3-methoxyoxolane (CID 14307964) is 3-methoxyoxolane.
What is the SMILES notation for 3-methoxyoxolane?
The canonical SMILES for 3-methoxyoxolane is COC1CCOC1.
What is the InChIKey of 3-methoxyoxolane?
The InChIKey is NYFCMQOONXYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3.
What are the key properties of 3-methoxyoxolane?
3-methoxyoxolane has a molecular weight of 102.13 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyoxolane is sourced from PubChem (CID 14307964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).