tert-butyl ethyl carbonate

C7H14O3 — CID 545840

IUPACtert-butyl ethyl carbonate
SMILESCCOC(=O)OC(C)(C)C
InChIInChI=1S/C7H14O3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3
InChIKeyFSZKWHBYBSGMJD-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl ethyl carbonate

tert-butyl ethyl carbonate (PubChem CID 545840) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is tert-butyl ethyl carbonate.

Molecular Properties

Compound Nametert-butyl ethyl carbonate
PubChem CID545840
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nametert-butyl ethyl carbonate
SMILESCCOC(=O)OC(C)(C)C
InChIInChI=1S/C7H14O3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3
InChIKeyFSZKWHBYBSGMJD-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dipropyl Carbonate
CID 69344
Methyl Propyl carbonate
CID 10129937
Diisopropyl carbonate
CID 536818
1,3-Dioxolan-2-one, 4,4-dimethyl-
CID 78174
Methyl isopropyl carbonate
CID 7021530
Carbonic acid, bis(1,1-dimethylethyl) ester
CID 10219638
Carbonic acid, ethyl propyl ester
CID 6420966
Isobutyl methyl carbonate
CID 22556363
Chloromethyl 1,1-dimethylethyl carbonate
CID 13557092
Propan-2-yl propyl carbonate
CID 275736
tert-Butyl methyl carbonate
CID 545995
Butan-2-yl methyl carbonate
CID 15688891

Frequently Asked Questions

What is the IUPAC name of tert-butyl ethyl carbonate?
The IUPAC name of tert-butyl ethyl carbonate (CID 545840) is tert-butyl ethyl carbonate.
What is the SMILES notation for tert-butyl ethyl carbonate?
The canonical SMILES for tert-butyl ethyl carbonate is CCOC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl ethyl carbonate?
The InChIKey is FSZKWHBYBSGMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3.
What are the key properties of tert-butyl ethyl carbonate?
tert-butyl ethyl carbonate has a molecular weight of 146.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl ethyl carbonate is sourced from PubChem (CID 545840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).