4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane

C6H10O4 — CID 142355045

IUPAC4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane
SMILESC.Cc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4.CH4/c1-3-4(2-6)9-5(7)8-3;/h6H,2H2,1H3;1H4
InChIKeyLVFBIVYKBKGVLZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.67
Rot. Bonds1

About 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane (PubChem CID 142355045) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane
PubChem CID142355045
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane
SMILESC.Cc1oc(=O)oc1CO
InChIInChI=1S/C5H6O4.CH4/c1-3-4(2-6)9-5(7)8-3;/h6H,2H2,1H3;1H4
InChIKeyLVFBIVYKBKGVLZ-UHFFFAOYSA-N
XLogP0.67
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane (CID 142355045) is 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane is C.Cc1oc(=O)oc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane?
The InChIKey is LVFBIVYKBKGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.CH4/c1-3-4(2-6)9-5(7)8-3;/h6H,2H2,1H3;1H4.
What are the key properties of 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane?
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane has a molecular weight of 146.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one;methane is sourced from PubChem (CID 142355045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).