tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate

C30H63BO6Si3 — CID 15357130

IUPACtris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate
SMILESC=C(COCCOB(OCCOCC(=C)[Si](C)(CC)CC)OCCOCC(=C)[Si](C)(CC)CC)[Si](C)(CC)CC
InChIInChI=1S/C30H63BO6Si3/c1-13-38(10,14-2)28(7)25-32-19-22-35-31(36-23-20-33-26-29(8)39(11,15-3)16-4)37-24-21-34-27-30(9)40(12,17-5)18-6/h7-9,13-27H2,1-6,10-12H3
InChIKeyAQKKZEQXEITVKV-UHFFFAOYSA-N
MW614.90 g/mol
LogP7.71
Rot. Bonds27

About tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate

tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate (PubChem CID 15357130) has the molecular formula C30H63BO6Si3 and a molecular weight of 614.90 g/mol. Its IUPAC name is tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate.

Molecular Properties

Compound Nametris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate
PubChem CID15357130
Molecular FormulaC30H63BO6Si3
Molecular Weight614.90 g/mol
Exact Mass614.40
IUPAC Nametris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate
SMILESC=C(COCCOB(OCCOCC(=C)[Si](C)(CC)CC)OCCOCC(=C)[Si](C)(CC)CC)[Si](C)(CC)CC
InChIInChI=1S/C30H63BO6Si3/c1-13-38(10,14-2)28(7)25-32-19-22-35-31(36-23-20-33-26-29(8)39(11,15-3)16-4)37-24-21-34-27-30(9)40(12,17-5)18-6/h7-9,13-27H2,1-6,10-12H3
InChIKeyAQKKZEQXEITVKV-UHFFFAOYSA-N
XLogP7.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.90
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate 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

2-[diethyl(methyl)silyl]prop-2-en-1-ol
CID 71384479
tris(2-hexadecoxyethyl) borate
CID 20570243
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
CID 103065980
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
ethyl-methyl-bis(1-trimethoxysilylethenyl)silane
CID 174048086
ethoxy-diethyl-[3-(2-methylprop-2-enoxy)propyl]silane
CID 87251812
3-butoxyprop-1-en-2-olate
CID 150634634
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
CID 59269543
CID 59269543
[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate
CID 152671881
2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
CID 121001046

Frequently Asked Questions

What is the IUPAC name of tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate?
The IUPAC name of tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate (CID 15357130) is tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate.
What is the SMILES notation for tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate?
The canonical SMILES for tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate is C=C(COCCOB(OCCOCC(=C)[Si](C)(CC)CC)OCCOCC(=C)[Si](C)(CC)CC)[Si](C)(CC)CC.
What is the InChIKey of tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate?
The InChIKey is AQKKZEQXEITVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63BO6Si3/c1-13-38(10,14-2)28(7)25-32-19-22-35-31(36-23-20-33-26-29(8)39(11,15-3)16-4)37-24-21-34-27-30(9)40(12,17-5)18-6/h7-9,13-27H2,1-6,10-12H3.
What are the key properties of tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate?
tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate has a molecular weight of 614.90 g/mol, XLogP of 7.71, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-[2-[diethyl(methyl)silyl]prop-2-enoxy]ethyl] borate is sourced from PubChem (CID 15357130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).