tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane

C13H29O4PSi — CID 57238883

IUPACtert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)OP(=O)(CC)OCC
InChIInChI=1S/C13H29O4PSi/c1-9-12(16-18(14,11-3)15-10-2)17-19(7,8)13(4,5)6/h9,12H,1,10-11H2,2-8H3
InChIKeyBMTZWSRHSMWFCK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.79
Rot. Bonds8

About tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane

tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane (PubChem CID 57238883) has the molecular formula C13H29O4PSi and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane
PubChem CID57238883
Molecular FormulaC13H29O4PSi
Molecular Weight308.43 g/mol
Exact Mass308.16
IUPAC Nametert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)OP(=O)(CC)OCC
InChIInChI=1S/C13H29O4PSi/c1-9-12(16-18(14,11-3)15-10-2)17-19(7,8)13(4,5)6/h9,12H,1,10-11H2,2-8H3
InChIKeyBMTZWSRHSMWFCK-UHFFFAOYSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
CID 101138901
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol
CID 175439157
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
3-diethoxyphosphorylprop-1-ene
CID 573014

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane (CID 57238883) is tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane is C=CC(O[Si](C)(C)C(C)(C)C)OP(=O)(CC)OCC.
What is the InChIKey of tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane?
The InChIKey is BMTZWSRHSMWFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O4PSi/c1-9-12(16-18(14,11-3)15-10-2)17-19(7,8)13(4,5)6/h9,12H,1,10-11H2,2-8H3.
What are the key properties of tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane?
tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane has a molecular weight of 308.43 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 57238883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).