3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene

C7H14BrO2P — CID 54167028

IUPAC3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(CC)OCCBr
InChIInChI=1S/C7H14BrO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3
InChIKeyOSJCMAIBQYCSDX-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.88
Rot. Bonds6

About 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene

3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene (PubChem CID 54167028) has the molecular formula C7H14BrO2P and a molecular weight of 241.06 g/mol. Its IUPAC name is 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene
PubChem CID54167028
Molecular FormulaC7H14BrO2P
Molecular Weight241.06 g/mol
Exact Mass239.99
IUPAC Name3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(CC)OCCBr
InChIInChI=1S/C7H14BrO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3
InChIKeyOSJCMAIBQYCSDX-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene?
The IUPAC name of 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene (CID 54167028) is 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene.
What is the SMILES notation for 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene?
The canonical SMILES for 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene is C=CCP(=O)(CC)OCCBr.
What is the InChIKey of 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene?
The InChIKey is OSJCMAIBQYCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene?
3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene has a molecular weight of 241.06 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromoethoxy(ethyl)phosphoryl]prop-1-ene is sourced from PubChem (CID 54167028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).