3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene

C8H11Cl2O2P — CID 88814378

IUPAC3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene
SMILESC=CC(Cl)OP(=O)(C=C)C(Cl)C=C
InChIInChI=1S/C8H11Cl2O2P/c1-4-7(9)12-13(11,6-3)8(10)5-2/h4-8H,1-3H2
InChIKeyFVJVCRFYHHFMHT-UHFFFAOYSA-N
MW241.05 g/mol
LogP3.93
Rot. Bonds6

About 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene

3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene (PubChem CID 88814378) has the molecular formula C8H11Cl2O2P and a molecular weight of 241.05 g/mol. Its IUPAC name is 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene
PubChem CID88814378
Molecular FormulaC8H11Cl2O2P
Molecular Weight241.05 g/mol
Exact Mass239.99
IUPAC Name3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene
SMILESC=CC(Cl)OP(=O)(C=C)C(Cl)C=C
InChIInChI=1S/C8H11Cl2O2P/c1-4-7(9)12-13(11,6-3)8(10)5-2/h4-8H,1-3H2
InChIKeyFVJVCRFYHHFMHT-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene (CID 88814378) is 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene is C=CC(Cl)OP(=O)(C=C)C(Cl)C=C.
What is the InChIKey of 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene?
The InChIKey is FVJVCRFYHHFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2O2P/c1-4-7(9)12-13(11,6-3)8(10)5-2/h4-8H,1-3H2.
What are the key properties of 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene?
3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene has a molecular weight of 241.05 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 88814378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).