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

C5H8O3 — CID 175899095

IUPAC(4-methyl-1,3-dioxol-2-yl)methanol
SMILESCC1=COC(CO)O1
InChIInChI=1S/C5H8O3/c1-4-3-7-5(2-6)8-4/h3,5-6H,2H2,1H3
InChIKeyUDULOQUACLIUPH-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.21
Rot. Bonds1

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

(4-methyl-1,3-dioxol-2-yl)methanol (PubChem CID 175899095) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (4-methyl-1,3-dioxol-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,3-dioxol-2-yl)methanol
PubChem CID175899095
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(4-methyl-1,3-dioxol-2-yl)methanol
SMILESCC1=COC(CO)O1
InChIInChI=1S/C5H8O3/c1-4-3-7-5(2-6)8-4/h3,5-6H,2H2,1H3
InChIKeyUDULOQUACLIUPH-UHFFFAOYSA-N
XLogP0.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-dioxol-2-yl)methanol?
The IUPAC name of (4-methyl-1,3-dioxol-2-yl)methanol (CID 175899095) is (4-methyl-1,3-dioxol-2-yl)methanol.
What is the SMILES notation for (4-methyl-1,3-dioxol-2-yl)methanol?
The canonical SMILES for (4-methyl-1,3-dioxol-2-yl)methanol is CC1=COC(CO)O1.
What is the InChIKey of (4-methyl-1,3-dioxol-2-yl)methanol?
The InChIKey is UDULOQUACLIUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-4-3-7-5(2-6)8-4/h3,5-6H,2H2,1H3.
What are the key properties of (4-methyl-1,3-dioxol-2-yl)methanol?
(4-methyl-1,3-dioxol-2-yl)methanol has a molecular weight of 116.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-dioxol-2-yl)methanol is sourced from PubChem (CID 175899095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).