6-bromo-6-diethoxyphosphorylhex-1-ene

C10H20BrO3P — CID 10990199

IUPAC6-bromo-6-diethoxyphosphorylhex-1-ene
SMILESC=CCCCC(Br)P(=O)(OCC)OCC
InChIInChI=1S/C10H20BrO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyXBBYGKHLWNQOAW-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.33
Rot. Bonds9

About 6-bromo-6-diethoxyphosphorylhex-1-ene

6-bromo-6-diethoxyphosphorylhex-1-ene (PubChem CID 10990199) has the molecular formula C10H20BrO3P and a molecular weight of 299.15 g/mol. Its IUPAC name is 6-bromo-6-diethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name6-bromo-6-diethoxyphosphorylhex-1-ene
PubChem CID10990199
Molecular FormulaC10H20BrO3P
Molecular Weight299.15 g/mol
Exact Mass298.03
IUPAC Name6-bromo-6-diethoxyphosphorylhex-1-ene
SMILESC=CCCCC(Br)P(=O)(OCC)OCC
InChIInChI=1S/C10H20BrO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyXBBYGKHLWNQOAW-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
Diethyl 4-bromo-2-butenylphosphonate
CID 54254531
(E)-4-bromo-1-diethoxyphosphorylbut-1-ene
CID 58918262
4-Bromo-1-diethoxyphosphorylbut-1-ene
CID 72462464
Ethoxy-hex-5-enyl-oxophosphanium
CID 134973479
(E)-1-diethoxyphosphorylpent-1-ene
CID 11041909
4-Diethoxyphosphorylhex-1-ene
CID 12533100

Frequently Asked Questions

What is the IUPAC name of 6-bromo-6-diethoxyphosphorylhex-1-ene?
The IUPAC name of 6-bromo-6-diethoxyphosphorylhex-1-ene (CID 10990199) is 6-bromo-6-diethoxyphosphorylhex-1-ene.
What is the SMILES notation for 6-bromo-6-diethoxyphosphorylhex-1-ene?
The canonical SMILES for 6-bromo-6-diethoxyphosphorylhex-1-ene is C=CCCCC(Br)P(=O)(OCC)OCC.
What is the InChIKey of 6-bromo-6-diethoxyphosphorylhex-1-ene?
The InChIKey is XBBYGKHLWNQOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrO3P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 6-bromo-6-diethoxyphosphorylhex-1-ene?
6-bromo-6-diethoxyphosphorylhex-1-ene has a molecular weight of 299.15 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-diethoxyphosphorylhex-1-ene is sourced from PubChem (CID 10990199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).