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

C6H12O4 — CID 10888064

IUPAC(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCOC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O4/c1-6(8-2)9-4-5(3-7)10-6/h5,7H,3-4H2,1-2H3
InChIKeyCPZKMUKQABMLPL-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.29
Rot. Bonds2

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

(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 10888064) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID10888064
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCOC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O4/c1-6(8-2)9-4-5(3-7)10-6/h5,7H,3-4H2,1-2H3
InChIKeyCPZKMUKQABMLPL-UHFFFAOYSA-N
XLogP-0.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.29
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-dioxolan-4-yl)methanol?
The IUPAC name of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol (CID 10888064) is (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol is COC1(C)OCC(CO)O1.
What is the InChIKey of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is CPZKMUKQABMLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(8-2)9-4-5(3-7)10-6/h5,7H,3-4H2,1-2H3.
What are the key properties of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 148.16 g/mol, XLogP of -0.29, 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-dioxolan-4-yl)methanol is sourced from PubChem (CID 10888064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).