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

C33H72O5Si4 — CID 171058419

IUPAC2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C33H72O5Si4/c1-12-22-39(23-13-2,24-14-3)36-42(31-21-35-33(34)32(10)11,37-40(25-15-4,26-16-5)27-17-6)38-41(28-18-7,29-19-8)30-20-9/h10,12-31H2,1-9,11H3
InChIKeyQCZPNZMHFRRUQE-UHFFFAOYSA-N
MW661.28 g/mol
LogP11.62
Rot. Bonds28

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

2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate (PubChem CID 171058419) has the molecular formula C33H72O5Si4 and a molecular weight of 661.28 g/mol. Its IUPAC name is 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
PubChem CID171058419
Molecular FormulaC33H72O5Si4
Molecular Weight661.28 g/mol
Exact Mass660.45
IUPAC Name2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C33H72O5Si4/c1-12-22-39(23-13-2,24-14-3)36-42(31-21-35-33(34)32(10)11,37-40(25-15-4,26-16-5)27-17-6)38-41(28-18-7,29-19-8)30-20-9/h10,12-31H2,1-9,11H3
InChIKeyQCZPNZMHFRRUQE-UHFFFAOYSA-N
XLogP11.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.28
LogP ≤ 511.62
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

tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
CID 171058420
3-[dipropyl(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18739228
2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
2-triacetyloxysilylethyl 2-methylprop-2-enoate
CID 22457265
4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
CID 140668251
5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
CID 140668073
azane;propyl 2-methylprop-2-enoate
CID 172812841
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 158000142
2-[chloro(diethyl)silyl]ethyl 2-methylprop-2-enoate
CID 156690552
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698

Frequently Asked Questions

What is the IUPAC name of 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate (CID 171058419) is 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[Si](O[Si](CCC)(CCC)CCC)(O[Si](CCC)(CCC)CCC)O[Si](CCC)(CCC)CCC.
What is the InChIKey of 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate?
The InChIKey is QCZPNZMHFRRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H72O5Si4/c1-12-22-39(23-13-2,24-14-3)36-42(31-21-35-33(34)32(10)11,37-40(25-15-4,26-16-5)27-17-6)38-41(28-18-7,29-19-8)30-20-9/h10,12-31H2,1-9,11H3.
What are the key properties of 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate?
2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate has a molecular weight of 661.28 g/mol, XLogP of 11.62, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 171058419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).