2-bromo-3-dipropoxyphosphorylprop-1-ene

C9H18BrO3P — CID 165348811

IUPAC2-bromo-3-dipropoxyphosphorylprop-1-ene
SMILESC=C(Br)CP(=O)(OCCC)OCCC
InChIInChI=1S/C9H18BrO3P/c1-4-6-12-14(11,8-9(3)10)13-7-5-2/h3-8H2,1-2H3
InChIKeyRYBALWLIHUYIMV-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.94
Rot. Bonds8

About 2-bromo-3-dipropoxyphosphorylprop-1-ene

2-bromo-3-dipropoxyphosphorylprop-1-ene (PubChem CID 165348811) has the molecular formula C9H18BrO3P and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-bromo-3-dipropoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name2-bromo-3-dipropoxyphosphorylprop-1-ene
PubChem CID165348811
Molecular FormulaC9H18BrO3P
Molecular Weight285.12 g/mol
Exact Mass284.02
IUPAC Name2-bromo-3-dipropoxyphosphorylprop-1-ene
SMILESC=C(Br)CP(=O)(OCCC)OCCC
InChIInChI=1S/C9H18BrO3P/c1-4-6-12-14(11,8-9(3)10)13-7-5-2/h3-8H2,1-2H3
InChIKeyRYBALWLIHUYIMV-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-dipropoxyphosphorylprop-1-ene?
The IUPAC name of 2-bromo-3-dipropoxyphosphorylprop-1-ene (CID 165348811) is 2-bromo-3-dipropoxyphosphorylprop-1-ene.
What is the SMILES notation for 2-bromo-3-dipropoxyphosphorylprop-1-ene?
The canonical SMILES for 2-bromo-3-dipropoxyphosphorylprop-1-ene is C=C(Br)CP(=O)(OCCC)OCCC.
What is the InChIKey of 2-bromo-3-dipropoxyphosphorylprop-1-ene?
The InChIKey is RYBALWLIHUYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrO3P/c1-4-6-12-14(11,8-9(3)10)13-7-5-2/h3-8H2,1-2H3.
What are the key properties of 2-bromo-3-dipropoxyphosphorylprop-1-ene?
2-bromo-3-dipropoxyphosphorylprop-1-ene has a molecular weight of 285.12 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-dipropoxyphosphorylprop-1-ene is sourced from PubChem (CID 165348811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).