[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate

C13H28O3Si — CID 155712729

IUPAC[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)O[Si](C)(C)CC
InChIInChI=1S/C13H28O3Si/c1-6-9-10-12(7-2)11-15-13(14)16-17(4,5)8-3/h12H,6-11H2,1-5H3
InChIKeyXJAFNMRLQGWEDQ-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.58
Rot. Bonds8

About [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate

[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate (PubChem CID 155712729) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
PubChem CID155712729
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)O[Si](C)(C)CC
InChIInChI=1S/C13H28O3Si/c1-6-9-10-12(7-2)11-15-13(14)16-17(4,5)8-3/h12H,6-11H2,1-5H3
InChIKeyXJAFNMRLQGWEDQ-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
ethyl 2-ethylhexyl carbonate
CID 54194012
2-ethylhexyl pentadecyl carbonate
CID 91693131
1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl propyliodanuidylformate
CID 156903380

Frequently Asked Questions

What is the IUPAC name of [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate?
The IUPAC name of [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate (CID 155712729) is [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate.
What is the SMILES notation for [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate?
The canonical SMILES for [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate is CCCCC(CC)COC(=O)O[Si](C)(C)CC.
What is the InChIKey of [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate?
The InChIKey is XJAFNMRLQGWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-9-10-12(7-2)11-15-13(14)16-17(4,5)8-3/h12H,6-11H2,1-5H3.
What are the key properties of [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate?
[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate has a molecular weight of 260.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] 2-ethylhexyl carbonate is sourced from PubChem (CID 155712729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).