[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane

C7H15O4PSi — CID 174500866

IUPAC[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane
SMILESCCCC[Si](OC)(OC)OC#P=O
InChIInChI=1S/C7H15O4PSi/c1-4-5-6-13(9-2,10-3)11-7-12-8/h4-6H2,1-3H3
InChIKeyZYWZEHWITNJGJX-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.24
Rot. Bonds6

About [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane

[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane (PubChem CID 174500866) has the molecular formula C7H15O4PSi and a molecular weight of 222.25 g/mol. Its IUPAC name is [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane.

Molecular Properties

Compound Name[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane
PubChem CID174500866
Molecular FormulaC7H15O4PSi
Molecular Weight222.25 g/mol
Exact Mass222.05
IUPAC Name[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane
SMILESCCCC[Si](OC)(OC)OC#P=O
InChIInChI=1S/C7H15O4PSi/c1-4-5-6-13(9-2,10-3)11-7-12-8/h4-6H2,1-3H3
InChIKeyZYWZEHWITNJGJX-UHFFFAOYSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
butyl-methoxy-dipropoxysilane
CID 18672915
butoxy-butyl-dimethoxysilane
CID 139714527
[butyl(dimethoxy)silyl]oxymethyl propanoate
CID 140963360
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane?
The IUPAC name of [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane (CID 174500866) is [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane.
What is the SMILES notation for [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane?
The canonical SMILES for [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane is CCCC[Si](OC)(OC)OC#P=O.
What is the InChIKey of [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane?
The InChIKey is ZYWZEHWITNJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4PSi/c1-4-5-6-13(9-2,10-3)11-7-12-8/h4-6H2,1-3H3.
What are the key properties of [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane?
[butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane has a molecular weight of 222.25 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethoxy)silyl]oxymethylidyne-oxo-λ5-phosphane is sourced from PubChem (CID 174500866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).