pentylsilane;2,2,2-trichloroacetaldehyde

C7H15Cl3OSi — CID 173215496

IUPACpentylsilane;2,2,2-trichloroacetaldehyde
SMILESCCCCC[SiH3].O=CC(Cl)(Cl)Cl
InChIInChI=1S/C5H14Si.C2HCl3O/c1-2-3-4-5-6;3-2(4,5)1-6/h2-5H2,1,6H3;1H
InChIKeyVPFCIRUPCJJKPV-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.52
Rot. Bonds3

About pentylsilane;2,2,2-trichloroacetaldehyde

pentylsilane;2,2,2-trichloroacetaldehyde (PubChem CID 173215496) has the molecular formula C7H15Cl3OSi and a molecular weight of 249.64 g/mol. Its IUPAC name is pentylsilane;2,2,2-trichloroacetaldehyde.

Molecular Properties

Compound Namepentylsilane;2,2,2-trichloroacetaldehyde
PubChem CID173215496
Molecular FormulaC7H15Cl3OSi
Molecular Weight249.64 g/mol
Exact Mass248.00
IUPAC Namepentylsilane;2,2,2-trichloroacetaldehyde
SMILESCCCCC[SiH3].O=CC(Cl)(Cl)Cl
InChIInChI=1S/C5H14Si.C2HCl3O/c1-2-3-4-5-6;3-2(4,5)1-6/h2-5H2,1,6H3;1H
InChIKeyVPFCIRUPCJJKPV-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dodecylsilane
CID 57354986
tricosylsilane;dihydrochloride
CID 173027901
methoxysilane;octadecylsilane;hydrochloride
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silylsilane;hexakis(2,2,2-trichloroacetaldehyde)
CID 173161358
2-chloro-2-hydroxyheptanal
CID 118105386
butylbenzene;2,2,2-trichloroacetaldehyde
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CID 172712247
CID 172712247
dichloromethane;hexane;tetrachloromethane
CID 88500059
hexanal;titanium
CID 87066655
CID 172860524
CID 172860524
2,2-dibutylpropanedial
CID 15324202
2-chloro-2-methylheptadecane
CID 19869804

Frequently Asked Questions

What is the IUPAC name of pentylsilane;2,2,2-trichloroacetaldehyde?
The IUPAC name of pentylsilane;2,2,2-trichloroacetaldehyde (CID 173215496) is pentylsilane;2,2,2-trichloroacetaldehyde.
What is the SMILES notation for pentylsilane;2,2,2-trichloroacetaldehyde?
The canonical SMILES for pentylsilane;2,2,2-trichloroacetaldehyde is CCCCC[SiH3].O=CC(Cl)(Cl)Cl.
What is the InChIKey of pentylsilane;2,2,2-trichloroacetaldehyde?
The InChIKey is VPFCIRUPCJJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14Si.C2HCl3O/c1-2-3-4-5-6;3-2(4,5)1-6/h2-5H2,1,6H3;1H.
What are the key properties of pentylsilane;2,2,2-trichloroacetaldehyde?
pentylsilane;2,2,2-trichloroacetaldehyde has a molecular weight of 249.64 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentylsilane;2,2,2-trichloroacetaldehyde is sourced from PubChem (CID 173215496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).