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

C6H10O3 — CID 141002546

IUPAC(2,5-dimethyl-1,3-dioxol-4-yl)methanol
SMILESCC1=C(CO)OC(C)O1
InChIInChI=1S/C6H10O3/c1-4-6(3-7)9-5(2)8-4/h5,7H,3H2,1-2H3
InChIKeyOXSVUGNNMLQZKT-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.60
Rot. Bonds1

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

(2,5-dimethyl-1,3-dioxol-4-yl)methanol (PubChem CID 141002546) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-dioxol-4-yl)methanol
PubChem CID141002546
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2,5-dimethyl-1,3-dioxol-4-yl)methanol
SMILESCC1=C(CO)OC(C)O1
InChIInChI=1S/C6H10O3/c1-4-6(3-7)9-5(2)8-4/h5,7H,3H2,1-2H3
InChIKeyOXSVUGNNMLQZKT-UHFFFAOYSA-N
XLogP0.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2,5-dimethyl-1,3-dioxol-4-yl)methanol (CID 141002546) is (2,5-dimethyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2,5-dimethyl-1,3-dioxol-4-yl)methanol is CC1=C(CO)OC(C)O1.
What is the InChIKey of (2,5-dimethyl-1,3-dioxol-4-yl)methanol?
The InChIKey is OXSVUGNNMLQZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-6(3-7)9-5(2)8-4/h5,7H,3H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-dioxol-4-yl)methanol?
(2,5-dimethyl-1,3-dioxol-4-yl)methanol has a molecular weight of 130.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141002546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).