tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate

C14H26O3Si — CID 102525574

IUPACtert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate
SMILESCC(C)=C(/C=C/[Si](C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-11(2)12(9-10-18(6,7)8)16-13(15)17-14(3,4)5/h9-10H,1-8H3/b10-9+
InChIKeyUEADQBYDLXYOQO-MDZDMXLPSA-N
MW270.44 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate

tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate (PubChem CID 102525574) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate
PubChem CID102525574
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nametert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate
SMILESCC(C)=C(/C=C/[Si](C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-11(2)12(9-10-18(6,7)8)16-13(15)17-14(3,4)5/h9-10H,1-8H3/b10-9+
InChIKeyUEADQBYDLXYOQO-MDZDMXLPSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate
CID 175490230
tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate
CID 68894803
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
CID 88521805
tert-butyl carboxy carbonate;1,4-dioxane
CID 158983783
tert-butyl (propan-2-ylideneamino) carbonate
CID 11116536
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl hydroxy carbonate
CID 19428429
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
tert-butyl N-[(E)-4-trimethylsilylbut-3-enyl]carbamate
CID 10538218

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate?
The IUPAC name of tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate (CID 102525574) is tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate?
The canonical SMILES for tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate is CC(C)=C(/C=C/[Si](C)(C)C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate?
The InChIKey is UEADQBYDLXYOQO-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11(2)12(9-10-18(6,7)8)16-13(15)17-14(3,4)5/h9-10H,1-8H3/b10-9+.
What are the key properties of tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate?
tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate has a molecular weight of 270.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate is sourced from PubChem (CID 102525574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).