(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane

C13H30BrO3PSi — CID 101056874

IUPAC(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
SMILESCCCCCC(Br)([Si](C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30BrO3PSi/c1-7-10-11-12-13(14,19(4,5)6)18(15,16-8-2)17-9-3/h7-12H2,1-6H3
InChIKeyKRDJGTBWXNLIPJ-UHFFFAOYSA-N
MW373.34 g/mol
LogP5.80
Rot. Bonds10

About (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane

(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane (PubChem CID 101056874) has the molecular formula C13H30BrO3PSi and a molecular weight of 373.34 g/mol. Its IUPAC name is (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
PubChem CID101056874
Molecular FormulaC13H30BrO3PSi
Molecular Weight373.34 g/mol
Exact Mass372.09
IUPAC Name(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
SMILESCCCCCC(Br)([Si](C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30BrO3PSi/c1-7-10-11-12-13(14,19(4,5)6)18(15,16-8-2)17-9-3/h7-12H2,1-6H3
InChIKeyKRDJGTBWXNLIPJ-UHFFFAOYSA-N
XLogP5.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.34
LogP ≤ 55.80
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-diethoxyphosphoryl-1-iodohexyl)-trimethylsilane
CID 101056877
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol
CID 10761554
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
CID 15266355
1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
3,3-bis(diethoxyphosphoryl)-3-hexoxypropanal
CID 102406501
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
2,2,3,3-tetrabromooctan-1-ol
CID 141280885
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
CID 23128735
(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
CID 10686582

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane?
The IUPAC name of (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane (CID 101056874) is (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane.
What is the SMILES notation for (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane?
The canonical SMILES for (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane is CCCCCC(Br)([Si](C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane?
The InChIKey is KRDJGTBWXNLIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30BrO3PSi/c1-7-10-11-12-13(14,19(4,5)6)18(15,16-8-2)17-9-3/h7-12H2,1-6H3.
What are the key properties of (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane?
(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane has a molecular weight of 373.34 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane is sourced from PubChem (CID 101056874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).