4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one

C7H10O4 — CID 6049887

IUPAC4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one
SMILESC/C=C/OCC1COC(=O)O1
InChIInChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyYFXXJQJIGQHZSG-NSCUHMNNSA-N
MW158.15 g/mol
LogP1.07
Rot. Bonds3

About 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one

4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one (PubChem CID 6049887) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one
PubChem CID6049887
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one
SMILESC/C=C/OCC1COC(=O)O1
InChIInChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyYFXXJQJIGQHZSG-NSCUHMNNSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.07
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-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one (CID 6049887) is 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one is C/C=C/OCC1COC(=O)O1.
What is the InChIKey of 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one?
The InChIKey is YFXXJQJIGQHZSG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one?
4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one has a molecular weight of 158.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 6049887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).