2-methylideneoxolane-3,4-diol

C5H8O3 — CID 76835712

IUPAC2-methylideneoxolane-3,4-diol
SMILESC=C1OCC(O)C1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2
InChIKeySIRMHEXXKZVLKM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.75
Rot. Bonds

About 2-methylideneoxolane-3,4-diol

2-methylideneoxolane-3,4-diol (PubChem CID 76835712) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-methylideneoxolane-3,4-diol.

Molecular Properties

Compound Name2-methylideneoxolane-3,4-diol
PubChem CID76835712
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-methylideneoxolane-3,4-diol
SMILESC=C1OCC(O)C1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2
InChIKeySIRMHEXXKZVLKM-UHFFFAOYSA-N
XLogP-0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylideneoxolane-3,4-diol?
The IUPAC name of 2-methylideneoxolane-3,4-diol (CID 76835712) is 2-methylideneoxolane-3,4-diol.
What is the SMILES notation for 2-methylideneoxolane-3,4-diol?
The canonical SMILES for 2-methylideneoxolane-3,4-diol is C=C1OCC(O)C1O.
What is the InChIKey of 2-methylideneoxolane-3,4-diol?
The InChIKey is SIRMHEXXKZVLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2.
What are the key properties of 2-methylideneoxolane-3,4-diol?
2-methylideneoxolane-3,4-diol has a molecular weight of 116.12 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoxolane-3,4-diol is sourced from PubChem (CID 76835712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).