[dimethyl(propan-2-yl)silyl] octyl carbonate

C14H30O3Si — CID 155712707

IUPAC[dimethyl(propan-2-yl)silyl] octyl carbonate
SMILESCCCCCCCCOC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-6-7-8-9-10-11-12-16-14(15)17-18(4,5)13(2)3/h13H,6-12H2,1-5H3
InChIKeyOYKVCCGPGYMYRF-UHFFFAOYSA-N
MW274.48 g/mol
LogP5.12
Rot. Bonds9

About [dimethyl(propan-2-yl)silyl] octyl carbonate

[dimethyl(propan-2-yl)silyl] octyl carbonate (PubChem CID 155712707) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)silyl] octyl carbonate.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)silyl] octyl carbonate
PubChem CID155712707
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[dimethyl(propan-2-yl)silyl] octyl carbonate
SMILESCCCCCCCCOC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-6-7-8-9-10-11-12-16-14(15)17-18(4,5)13(2)3/h13H,6-12H2,1-5H3
InChIKeyOYKVCCGPGYMYRF-UHFFFAOYSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.48
LogP ≤ 55.12
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

nonyl tri(propan-2-yl)silyl carbonate
CID 155712658
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
CID 139703201
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
octyl triethylsilyl carbonate
CID 155712726
decyl triethylsilyl carbonate
CID 155712740
azane;dioctyl carbonate
CID 174626203
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate
CID 139703200
azane;methyl tetradecyl carbonate
CID 118914581
hexoxycarbonyl hexyl carbonate
CID 18974231

Frequently Asked Questions

What is the IUPAC name of [dimethyl(propan-2-yl)silyl] octyl carbonate?
The IUPAC name of [dimethyl(propan-2-yl)silyl] octyl carbonate (CID 155712707) is [dimethyl(propan-2-yl)silyl] octyl carbonate.
What is the SMILES notation for [dimethyl(propan-2-yl)silyl] octyl carbonate?
The canonical SMILES for [dimethyl(propan-2-yl)silyl] octyl carbonate is CCCCCCCCOC(=O)O[Si](C)(C)C(C)C.
What is the InChIKey of [dimethyl(propan-2-yl)silyl] octyl carbonate?
The InChIKey is OYKVCCGPGYMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-6-7-8-9-10-11-12-16-14(15)17-18(4,5)13(2)3/h13H,6-12H2,1-5H3.
What are the key properties of [dimethyl(propan-2-yl)silyl] octyl carbonate?
[dimethyl(propan-2-yl)silyl] octyl carbonate has a molecular weight of 274.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)silyl] octyl carbonate is sourced from PubChem (CID 155712707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).