(4,5-dimethyl-1,3-dioxolan-2-yl)methanol

C6H12O3 — CID 58896345

IUPAC(4,5-dimethyl-1,3-dioxolan-2-yl)methanol
SMILESCC1OC(CO)OC1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3
InChIKeyCAFLJLLVACNFEF-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds1

About (4,5-dimethyl-1,3-dioxolan-2-yl)methanol

(4,5-dimethyl-1,3-dioxolan-2-yl)methanol (PubChem CID 58896345) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-dioxolan-2-yl)methanol
PubChem CID58896345
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(4,5-dimethyl-1,3-dioxolan-2-yl)methanol
SMILESCC1OC(CO)OC1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3
InChIKeyCAFLJLLVACNFEF-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (4,5-dimethyl-1,3-dioxolan-2-yl)methanol (CID 58896345) is (4,5-dimethyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (4,5-dimethyl-1,3-dioxolan-2-yl)methanol is CC1OC(CO)OC1C.
What is the InChIKey of (4,5-dimethyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is CAFLJLLVACNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-dioxolan-2-yl)methanol?
(4,5-dimethyl-1,3-dioxolan-2-yl)methanol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 58896345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).