octyl 2-trimethylsilylethyl carbonate

C14H30O3Si — CID 172701355

IUPACoctyl 2-trimethylsilylethyl carbonate
SMILESCCCCCCCCOC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C14H30O3Si/c1-5-6-7-8-9-10-11-16-14(15)17-12-13-18(2,3)4/h5-13H2,1-4H3
InChIKeyCZWHHNGHOQREAG-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.84
Rot. Bonds10

About octyl 2-trimethylsilylethyl carbonate

octyl 2-trimethylsilylethyl carbonate (PubChem CID 172701355) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is octyl 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Nameoctyl 2-trimethylsilylethyl carbonate
PubChem CID172701355
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameoctyl 2-trimethylsilylethyl carbonate
SMILESCCCCCCCCOC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C14H30O3Si/c1-5-6-7-8-9-10-11-16-14(15)17-12-13-18(2,3)4/h5-13H2,1-4H3
InChIKeyCZWHHNGHOQREAG-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524
chloro hexyl carbonate
CID 90046740
ethyl tetradecyl carbonate
CID 6421505
2-trimethylsilylethyl heptanoate
CID 141105261
2-trimethylsilylethyl [hexyl(dimethyl)silyl]formate
CID 87902808

Frequently Asked Questions

What is the IUPAC name of octyl 2-trimethylsilylethyl carbonate?
The IUPAC name of octyl 2-trimethylsilylethyl carbonate (CID 172701355) is octyl 2-trimethylsilylethyl carbonate.
What is the SMILES notation for octyl 2-trimethylsilylethyl carbonate?
The canonical SMILES for octyl 2-trimethylsilylethyl carbonate is CCCCCCCCOC(=O)OCC[Si](C)(C)C.
What is the InChIKey of octyl 2-trimethylsilylethyl carbonate?
The InChIKey is CZWHHNGHOQREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-5-6-7-8-9-10-11-16-14(15)17-12-13-18(2,3)4/h5-13H2,1-4H3.
What are the key properties of octyl 2-trimethylsilylethyl carbonate?
octyl 2-trimethylsilylethyl carbonate has a molecular weight of 274.48 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 172701355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).