2-methylideneoxolan-3-ol

C5H8O2 — CID 59525132

IUPAC2-methylideneoxolan-3-ol
SMILESC=C1OCCC1O
InChIInChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h5-6H,1-3H2
InChIKeyAQAPWRZJKYXIPM-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds

About 2-methylideneoxolan-3-ol

2-methylideneoxolan-3-ol (PubChem CID 59525132) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methylideneoxolan-3-ol.

Molecular Properties

Compound Name2-methylideneoxolan-3-ol
PubChem CID59525132
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-methylideneoxolan-3-ol
SMILESC=C1OCCC1O
InChIInChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h5-6H,1-3H2
InChIKeyAQAPWRZJKYXIPM-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylideneoxolan-3-ol?
The IUPAC name of 2-methylideneoxolan-3-ol (CID 59525132) is 2-methylideneoxolan-3-ol.
What is the SMILES notation for 2-methylideneoxolan-3-ol?
The canonical SMILES for 2-methylideneoxolan-3-ol is C=C1OCCC1O.
What is the InChIKey of 2-methylideneoxolan-3-ol?
The InChIKey is AQAPWRZJKYXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h5-6H,1-3H2.
What are the key properties of 2-methylideneoxolan-3-ol?
2-methylideneoxolan-3-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoxolan-3-ol is sourced from PubChem (CID 59525132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).