(3R,4R)-2-methylideneoxolane-3,4-diol

C5H8O3 — CID 126601860

IUPAC(3R,4R)-2-methylideneoxolane-3,4-diol
SMILESC=C1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m1/s1
InChIKeySIRMHEXXKZVLKM-UHNVWZDZSA-N
MW116.12 g/mol
LogP-0.75
Rot. Bonds

About (3R,4R)-2-methylideneoxolane-3,4-diol

(3R,4R)-2-methylideneoxolane-3,4-diol (PubChem CID 126601860) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3R,4R)-2-methylideneoxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-methylideneoxolane-3,4-diol
PubChem CID126601860
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3R,4R)-2-methylideneoxolane-3,4-diol
SMILESC=C1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m1/s1
InChIKeySIRMHEXXKZVLKM-UHNVWZDZSA-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 (3R,4R)-2-methylideneoxolane-3,4-diol?
The IUPAC name of (3R,4R)-2-methylideneoxolane-3,4-diol (CID 126601860) is (3R,4R)-2-methylideneoxolane-3,4-diol.
What is the SMILES notation for (3R,4R)-2-methylideneoxolane-3,4-diol?
The canonical SMILES for (3R,4R)-2-methylideneoxolane-3,4-diol is C=C1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-2-methylideneoxolane-3,4-diol?
The InChIKey is SIRMHEXXKZVLKM-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m1/s1.
What are the key properties of (3R,4R)-2-methylideneoxolane-3,4-diol?
(3R,4R)-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 (3R,4R)-2-methylideneoxolane-3,4-diol is sourced from PubChem (CID 126601860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).