1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane

C12H24ClO4P — CID 71437382

IUPAC1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane
SMILESCCCOP(=O)(C=C(C)OC(C)CCl)OCCC
InChIInChI=1S/C12H24ClO4P/c1-5-7-15-18(14,16-8-6-2)10-12(4)17-11(3)9-13/h10-11H,5-9H2,1-4H3
InChIKeyDMFCJZXPEZDJEX-UHFFFAOYSA-N
MW298.75 g/mol
LogP4.54
Rot. Bonds10

About 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane

1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane (PubChem CID 71437382) has the molecular formula C12H24ClO4P and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane.

Molecular Properties

Compound Name1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane
PubChem CID71437382
Molecular FormulaC12H24ClO4P
Molecular Weight298.75 g/mol
Exact Mass298.11
IUPAC Name1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane
SMILESCCCOP(=O)(C=C(C)OC(C)CCl)OCCC
InChIInChI=1S/C12H24ClO4P/c1-5-7-15-18(14,16-8-6-2)10-12(4)17-11(3)9-13/h10-11H,5-9H2,1-4H3
InChIKeyDMFCJZXPEZDJEX-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane?
The IUPAC name of 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane (CID 71437382) is 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane.
What is the SMILES notation for 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane?
The canonical SMILES for 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane is CCCOP(=O)(C=C(C)OC(C)CCl)OCCC.
What is the InChIKey of 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane?
The InChIKey is DMFCJZXPEZDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClO4P/c1-5-7-15-18(14,16-8-6-2)10-12(4)17-11(3)9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane?
1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane has a molecular weight of 298.75 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-dipropoxyphosphorylprop-1-en-2-yloxy)propane is sourced from PubChem (CID 71437382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).