[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate

C32H48O4Si2 — CID 174976118

IUPAC[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate
SMILESC=C(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H24O2Si.C12H24O2Si/c1-16(2)19(21)22-23(20(3,4)5,17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h6-15H,1H2,2-5H3;8-11H,1H2,2-7H3
InChIKeyYDKJMTLAZGGOLX-UHFFFAOYSA-N
MW552.90 g/mol
LogP7.56
Rot. Bonds9

About [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate

[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate (PubChem CID 174976118) has the molecular formula C32H48O4Si2 and a molecular weight of 552.90 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate
PubChem CID174976118
Molecular FormulaC32H48O4Si2
Molecular Weight552.90 g/mol
Exact Mass552.31
IUPAC Name[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate
SMILESC=C(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H24O2Si.C12H24O2Si/c1-16(2)19(21)22-23(20(3,4)5,17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h6-15H,1H2,2-5H3;8-11H,1H2,2-7H3
InChIKeyYDKJMTLAZGGOLX-UHFFFAOYSA-N
XLogP7.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.90
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
tert-butyl-(1-methoxyethenoxy)-diphenylsilane
CID 10662951
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
CID 11576022
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione
CID 71480533
(6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydecane-2,8-dione
CID 71480534
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate (CID 174976118) is [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate is C=C(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate?
The InChIKey is YDKJMTLAZGGOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si.C12H24O2Si/c1-16(2)19(21)22-23(20(3,4)5,17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h6-15H,1H2,2-5H3;8-11H,1H2,2-7H3.
What are the key properties of [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate?
[tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate has a molecular weight of 552.90 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] 2-methylprop-2-enoate;tri(propan-2-yl)silyl prop-2-enoate is sourced from PubChem (CID 174976118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).