3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene

C6H10ClO3P — CID 4187658

IUPAC3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(Cl)OCC=C
InChIInChI=1S/C6H10ClO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyLEWQIRKQOJDHEC-UHFFFAOYSA-N
MW196.57 g/mol
LogP2.74
Rot. Bonds6

About 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene

3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene (PubChem CID 4187658) has the molecular formula C6H10ClO3P and a molecular weight of 196.57 g/mol. Its IUPAC name is 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
PubChem CID4187658
Molecular FormulaC6H10ClO3P
Molecular Weight196.57 g/mol
Exact Mass196.01
IUPAC Name3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(Cl)OCC=C
InChIInChI=1S/C6H10ClO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyLEWQIRKQOJDHEC-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.57
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene (CID 4187658) is 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(Cl)OCC=C.
What is the InChIKey of 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The InChIKey is LEWQIRKQOJDHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene has a molecular weight of 196.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(prop-2-enoxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 4187658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).