tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate

C32H70O5Si4 — CID 171058420

IUPACtris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C32H70O5Si4/c1-12-21-38(22-13-2,23-14-3)35-41(30-34-32(33)31(10)11,36-39(24-15-4,25-16-5)26-17-6)37-40(27-18-7,28-19-8)29-20-9/h10,12-30H2,1-9,11H3
InChIKeyCLUYWTCUHMWQCV-UHFFFAOYSA-N
MW647.25 g/mol
LogP11.16
Rot. Bonds27

About tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate

tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate (PubChem CID 171058420) has the molecular formula C32H70O5Si4 and a molecular weight of 647.25 g/mol. Its IUPAC name is tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
PubChem CID171058420
Molecular FormulaC32H70O5Si4
Molecular Weight647.25 g/mol
Exact Mass646.43
IUPAC Nametris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C32H70O5Si4/c1-12-21-38(22-13-2,23-14-3)35-41(30-34-32(33)31(10)11,36-39(24-15-4,25-16-5)26-17-6)37-40(27-18-7,28-19-8)29-20-9/h10,12-30H2,1-9,11H3
InChIKeyCLUYWTCUHMWQCV-UHFFFAOYSA-N
XLogP11.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.25
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
CID 171058419
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
3-[dipropyl(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18739228
tris[[ethenyl(dimethyl)silyl]oxy]silylmethyl 2-methylprop-2-enoate
CID 87101348
[acetyloxy(diethoxy)silyl]methyl 2-methylprop-2-enoate
CID 22457247
4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
CID 140668251
trichlorosilylmethyl 2-methylprop-2-enoate
CID 22457275
5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
CID 140668073
[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate
CID 156690529
(methoxy-methyl-propylsilyl)oxymethyl 2-methylprop-2-enoate
CID 87110398
[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
CID 163406071
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate?
The IUPAC name of tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate (CID 171058420) is tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate?
The canonical SMILES for tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC.
What is the InChIKey of tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate?
The InChIKey is CLUYWTCUHMWQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H70O5Si4/c1-12-21-38(22-13-2,23-14-3)35-41(30-34-32(33)31(10)11,36-39(24-15-4,25-16-5)26-17-6)37-40(27-18-7,28-19-8)29-20-9/h10,12-30H2,1-9,11H3.
What are the key properties of tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate?
tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate has a molecular weight of 647.25 g/mol, XLogP of 11.16, 27 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).