[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate

C19H43NO7Si4 — CID 88661534

IUPAC[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(N)=O
InChIInChI=1S/C19H43NO7Si4/c1-16(2)18(21)24-17(15-23-19(20)22)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h17H,1,12-15H2,2-11H3,(H2,20,22)
InChIKeyALSSRVXMSQLOEI-UHFFFAOYSA-N
MW509.90 g/mol
LogP4.84
Rot. Bonds14

About [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate

[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate (PubChem CID 88661534) has the molecular formula C19H43NO7Si4 and a molecular weight of 509.90 g/mol. Its IUPAC name is [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate
PubChem CID88661534
Molecular FormulaC19H43NO7Si4
Molecular Weight509.90 g/mol
Exact Mass509.21
IUPAC Name[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(N)=O
InChIInChI=1S/C19H43NO7Si4/c1-16(2)18(21)24-17(15-23-19(20)22)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h17H,1,12-15H2,2-11H3,(H2,20,22)
InChIKeyALSSRVXMSQLOEI-UHFFFAOYSA-N
XLogP4.84
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
CID 21037504
tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 158000142
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258
[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
CID 140891427
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
3-tris[tris(trimethylsilyloxy)silyloxy]silylpropyl 2-methylprop-2-enoate
CID 54059170
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate (CID 88661534) is [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(N)=O.
What is the InChIKey of [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is ALSSRVXMSQLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO7Si4/c1-16(2)18(21)24-17(15-23-19(20)22)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h17H,1,12-15H2,2-11H3,(H2,20,22).
What are the key properties of [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate?
[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 509.90 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 88661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).