4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one

C8H9ClO4 — CID 118882291

IUPAC4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCC=C(Cl)OCc1oc(=O)oc1C
InChIInChI=1S/C8H9ClO4/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,4H2,1-2H3
InChIKeyWJPVZWGEUWHGBG-UHFFFAOYSA-N
MW204.61 g/mol
LogP2.16
Rot. Bonds3

About 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one

4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 118882291) has the molecular formula C8H9ClO4 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID118882291
Molecular FormulaC8H9ClO4
Molecular Weight204.61 g/mol
Exact Mass204.02
IUPAC Name4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCC=C(Cl)OCc1oc(=O)oc1C
InChIInChI=1S/C8H9ClO4/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,4H2,1-2H3
InChIKeyWJPVZWGEUWHGBG-UHFFFAOYSA-N
XLogP2.16
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 52.16
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-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one (CID 118882291) is 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one is CC=C(Cl)OCc1oc(=O)oc1C.
What is the InChIKey of 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is WJPVZWGEUWHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4/c1-3-7(9)11-4-6-5(2)12-8(10)13-6/h3H,4H2,1-2H3.
What are the key properties of 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 204.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroprop-1-enoxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 118882291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).