[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate

C21H29O5PSi — CID 175564241

IUPAC[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
SMILESCC(=CCOP(=O)(O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29O5PSi/c1-18(15-16-25-27(22,23)24)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3,(H2,22,23,24)
InChIKeyNHXAQQNFRUOMEU-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.62
Rot. Bonds8

About [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate

[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate (PubChem CID 175564241) has the molecular formula C21H29O5PSi and a molecular weight of 420.52 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
PubChem CID175564241
Molecular FormulaC21H29O5PSi
Molecular Weight420.52 g/mol
Exact Mass420.15
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
SMILESCC(=CCOP(=O)(O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29O5PSi/c1-18(15-16-25-27(22,23)24)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3,(H2,22,23,24)
InChIKeyNHXAQQNFRUOMEU-UHFFFAOYSA-N
XLogP3.62
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dienyl] methanesulfonate
CID 10553464
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate (CID 175564241) is [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate is CC(=CCOP(=O)(O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate?
The InChIKey is NHXAQQNFRUOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29O5PSi/c1-18(15-16-25-27(22,23)24)17-26-28(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3,(H2,22,23,24).
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate?
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate has a molecular weight of 420.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate is sourced from PubChem (CID 175564241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).