2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane

C9H17Br2O3P — CID 54265130

IUPAC2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCC(C)Br)OCC(C)Br
InChIInChI=1S/C9H17Br2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyRGFJQFQIDOOCCN-UHFFFAOYSA-N
MW364.01 g/mol
LogP3.97
Rot. Bonds8

About 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane

2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane (PubChem CID 54265130) has the molecular formula C9H17Br2O3P and a molecular weight of 364.01 g/mol. Its IUPAC name is 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane
PubChem CID54265130
Molecular FormulaC9H17Br2O3P
Molecular Weight364.01 g/mol
Exact Mass361.93
IUPAC Name2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane
SMILESC=CCP(=O)(OCC(C)Br)OCC(C)Br
InChIInChI=1S/C9H17Br2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyRGFJQFQIDOOCCN-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane?
The IUPAC name of 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane (CID 54265130) is 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane?
The canonical SMILES for 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane is C=CCP(=O)(OCC(C)Br)OCC(C)Br.
What is the InChIKey of 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane?
The InChIKey is RGFJQFQIDOOCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br2O3P/c1-4-5-15(12,13-6-8(2)10)14-7-9(3)11/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane?
2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane has a molecular weight of 364.01 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromopropoxy(prop-2-enyl)phosphoryl]oxypropane is sourced from PubChem (CID 54265130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).