4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one

C8H10O4 — CID 58840443

IUPAC4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
SMILESC=C(C)OCc1oc(=O)oc1C
InChIInChI=1S/C8H10O4/c1-5(2)10-4-7-6(3)11-8(9)12-7/h1,4H2,2-3H3
InChIKeyLTTSTJWLYGPJQA-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.59
Rot. Bonds3

About 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one

4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one (PubChem CID 58840443) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
PubChem CID58840443
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one
SMILESC=C(C)OCc1oc(=O)oc1C
InChIInChI=1S/C8H10O4/c1-5(2)10-4-7-6(3)11-8(9)12-7/h1,4H2,2-3H3
InChIKeyLTTSTJWLYGPJQA-UHFFFAOYSA-N
XLogP1.59
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one (CID 58840443) is 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one is C=C(C)OCc1oc(=O)oc1C.
What is the InChIKey of 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one?
The InChIKey is LTTSTJWLYGPJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(2)10-4-7-6(3)11-8(9)12-7/h1,4H2,2-3H3.
What are the key properties of 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one?
4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one has a molecular weight of 170.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(prop-1-en-2-yloxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 58840443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).