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

C6H10O4 — CID 140972174

IUPAC(2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol
SMILESCOC1(C)OC=C(CO)O1
InChIInChI=1S/C6H10O4/c1-6(8-2)9-4-5(3-7)10-6/h4,7H,3H2,1-2H3
InChIKeyULAPTEUOEYYCCV-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.19
Rot. Bonds2

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

(2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol (PubChem CID 140972174) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol
PubChem CID140972174
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol
SMILESCOC1(C)OC=C(CO)O1
InChIInChI=1S/C6H10O4/c1-6(8-2)9-4-5(3-7)10-6/h4,7H,3H2,1-2H3
InChIKeyULAPTEUOEYYCCV-UHFFFAOYSA-N
XLogP0.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol (CID 140972174) is (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol is COC1(C)OC=C(CO)O1.
What is the InChIKey of (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol?
The InChIKey is ULAPTEUOEYYCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(8-2)9-4-5(3-7)10-6/h4,7H,3H2,1-2H3.
What are the key properties of (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol?
(2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol has a molecular weight of 146.14 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 140972174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).