3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

C6H6Cl2O5P+ — CID 130463840

IUPAC3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)OCC=C(Cl)Cl)O1
InChIInChI=1S/C6H6Cl2O5P/c7-4(8)1-2-12-14(10)5-3-11-6(9)13-5/h1,5H,2-3H2/q+1
InChIKeyBVSZWYDLPXOQCB-UHFFFAOYSA-N
MW259.99 g/mol
LogP2.56
Rot. Bonds4

About 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (PubChem CID 130463840) has the molecular formula C6H6Cl2O5P+ and a molecular weight of 259.99 g/mol. Its IUPAC name is 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.

Molecular Properties

Compound Name3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
PubChem CID130463840
Molecular FormulaC6H6Cl2O5P+
Molecular Weight259.99 g/mol
Exact Mass258.93
IUPAC Name3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)OCC=C(Cl)Cl)O1
InChIInChI=1S/C6H6Cl2O5P/c7-4(8)1-2-12-14(10)5-3-11-6(9)13-5/h1,5H,2-3H2/q+1
InChIKeyBVSZWYDLPXOQCB-UHFFFAOYSA-N
XLogP2.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.99
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
CID 23709778
CID 172774171
CID 172774171
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 157198471
2-(2-oxo-1,3-dioxolane-4-carbonyl)oxyethyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 122643704
4,5-dihydroxy-1,3-dioxan-2-one
CID 139816851
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
(2-oxo-1,3-dioxolan-4-yl) hypofluorite
CID 118636639
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The IUPAC name of 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (CID 130463840) is 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.
What is the SMILES notation for 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The canonical SMILES for 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is O=C1OCC([P+](=O)OCC=C(Cl)Cl)O1.
What is the InChIKey of 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The InChIKey is BVSZWYDLPXOQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O5P/c7-4(8)1-2-12-14(10)5-3-11-6(9)13-5/h1,5H,2-3H2/q+1.
What are the key properties of 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium has a molecular weight of 259.99 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloroprop-2-enoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is sourced from PubChem (CID 130463840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).