4-prop-1-enoxy-1,3-dioxolan-2-one

C6H8O4 — CID 139776471

IUPAC4-prop-1-enoxy-1,3-dioxolan-2-one
SMILESCC=COC1COC(=O)O1
InChIInChI=1S/C6H8O4/c1-2-3-8-5-4-9-6(7)10-5/h2-3,5H,4H2,1H3
InChIKeyMPMXQLXKVPNXRI-UHFFFAOYSA-N
MW144.13 g/mol
LogP1.03
Rot. Bonds2

About 4-prop-1-enoxy-1,3-dioxolan-2-one

4-prop-1-enoxy-1,3-dioxolan-2-one (PubChem CID 139776471) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-prop-1-enoxy-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-prop-1-enoxy-1,3-dioxolan-2-one
PubChem CID139776471
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name4-prop-1-enoxy-1,3-dioxolan-2-one
SMILESCC=COC1COC(=O)O1
InChIInChI=1S/C6H8O4/c1-2-3-8-5-4-9-6(7)10-5/h2-3,5H,4H2,1H3
InChIKeyMPMXQLXKVPNXRI-UHFFFAOYSA-N
XLogP1.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 51.03
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-prop-1-enoxy-1,3-dioxolan-2-one?
The IUPAC name of 4-prop-1-enoxy-1,3-dioxolan-2-one (CID 139776471) is 4-prop-1-enoxy-1,3-dioxolan-2-one.
What is the SMILES notation for 4-prop-1-enoxy-1,3-dioxolan-2-one?
The canonical SMILES for 4-prop-1-enoxy-1,3-dioxolan-2-one is CC=COC1COC(=O)O1.
What is the InChIKey of 4-prop-1-enoxy-1,3-dioxolan-2-one?
The InChIKey is MPMXQLXKVPNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-2-3-8-5-4-9-6(7)10-5/h2-3,5H,4H2,1H3.
What are the key properties of 4-prop-1-enoxy-1,3-dioxolan-2-one?
4-prop-1-enoxy-1,3-dioxolan-2-one has a molecular weight of 144.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enoxy-1,3-dioxolan-2-one is sourced from PubChem (CID 139776471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).