(2-methoxy-1,3-dioxol-4-yl)methanol

C5H8O4 — CID 140972175

IUPAC(2-methoxy-1,3-dioxol-4-yl)methanol
SMILESCOC1OC=C(CO)O1
InChIInChI=1S/C5H8O4/c1-7-5-8-3-4(2-6)9-5/h3,5-6H,2H2,1H3
InChIKeyWSHWJRDYXNCLIT-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.20
Rot. Bonds2

About (2-methoxy-1,3-dioxol-4-yl)methanol

(2-methoxy-1,3-dioxol-4-yl)methanol (PubChem CID 140972175) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (2-methoxy-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-1,3-dioxol-4-yl)methanol
PubChem CID140972175
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(2-methoxy-1,3-dioxol-4-yl)methanol
SMILESCOC1OC=C(CO)O1
InChIInChI=1S/C5H8O4/c1-7-5-8-3-4(2-6)9-5/h3,5-6H,2H2,1H3
InChIKeyWSHWJRDYXNCLIT-UHFFFAOYSA-N
XLogP-0.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-methoxy-1,3-dioxol-4-yl)methanol (CID 140972175) is (2-methoxy-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-methoxy-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-methoxy-1,3-dioxol-4-yl)methanol is COC1OC=C(CO)O1.
What is the InChIKey of (2-methoxy-1,3-dioxol-4-yl)methanol?
The InChIKey is WSHWJRDYXNCLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-7-5-8-3-4(2-6)9-5/h3,5-6H,2H2,1H3.
What are the key properties of (2-methoxy-1,3-dioxol-4-yl)methanol?
(2-methoxy-1,3-dioxol-4-yl)methanol has a molecular weight of 132.11 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 140972175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).