2-[chloro(prop-2-enoxy)phosphoryl]oxypropane

C6H12ClO3P — CID 134885587

IUPAC2-[chloro(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(=O)(Cl)OC(C)C
InChIInChI=1S/C6H12ClO3P/c1-4-5-9-11(7,8)10-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeySYVAWJHKHOPOLH-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.96
Rot. Bonds5

About 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane

2-[chloro(prop-2-enoxy)phosphoryl]oxypropane (PubChem CID 134885587) has the molecular formula C6H12ClO3P and a molecular weight of 198.59 g/mol. Its IUPAC name is 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[chloro(prop-2-enoxy)phosphoryl]oxypropane
PubChem CID134885587
Molecular FormulaC6H12ClO3P
Molecular Weight198.59 g/mol
Exact Mass198.02
IUPAC Name2-[chloro(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(=O)(Cl)OC(C)C
InChIInChI=1S/C6H12ClO3P/c1-4-5-9-11(7,8)10-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeySYVAWJHKHOPOLH-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.96
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 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane?
The IUPAC name of 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane (CID 134885587) is 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane is C=CCOP(=O)(Cl)OC(C)C.
What is the InChIKey of 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane?
The InChIKey is SYVAWJHKHOPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO3P/c1-4-5-9-11(7,8)10-6(2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane?
2-[chloro(prop-2-enoxy)phosphoryl]oxypropane has a molecular weight of 198.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(prop-2-enoxy)phosphoryl]oxypropane is sourced from PubChem (CID 134885587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).