tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane

C13H29O3PSi — CID 99771569

IUPACtert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
SMILESCCOP(=O)(OCC)C1([Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H29O3PSi/c1-8-15-17(14,16-9-2)13(10-11-13)18(6,7)12(3,4)5/h8-11H2,1-7H3
InChIKeyYLFRPVMQELNUIZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.83
Rot. Bonds6

About tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane

tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane (PubChem CID 99771569) has the molecular formula C13H29O3PSi and a molecular weight of 292.43 g/mol. Its IUPAC name is tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
PubChem CID99771569
Molecular FormulaC13H29O3PSi
Molecular Weight292.43 g/mol
Exact Mass292.16
IUPAC Nametert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
SMILESCCOP(=O)(OCC)C1([Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H29O3PSi/c1-8-15-17(14,16-9-2)13(10-11-13)18(6,7)12(3,4)5/h8-11H2,1-7H3
InChIKeyYLFRPVMQELNUIZ-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 11808932
2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
CID 15882675
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
bis[tert-butyl(dimethyl)silyl] ethyl phosphate;[tert-butyl(dimethyl)silyl] ethyl trimethylsilyl phosphate;trimethyl-[methyl(trimethylsilyloxy)phosphoryl]oxysilane
CID 159477136
tert-butyl-bis(diethoxyphosphoryl)phosphane
CID 12543031
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
(2R)-2-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-6-hydroxy-3-methyloxan-2-yl]propanal
CID 102280608
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
3,3-bis(diethoxyphosphoryl)cyclohexene
CID 19821537
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane?
The IUPAC name of tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane (CID 99771569) is tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane is CCOP(=O)(OCC)C1([Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane?
The InChIKey is YLFRPVMQELNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3PSi/c1-8-15-17(14,16-9-2)13(10-11-13)18(6,7)12(3,4)5/h8-11H2,1-7H3.
What are the key properties of tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane?
tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane has a molecular weight of 292.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane is sourced from PubChem (CID 99771569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).