ethyl tetradecyl carbonate

C17H34O3 — CID 6421505

IUPACethyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OCC
InChIInChI=1S/C17H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19-4-2/h3-16H2,1-2H3
InChIKeyUMYLPHGSBJVVPL-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.86
Rot. Bonds14

About ethyl tetradecyl carbonate

ethyl tetradecyl carbonate (PubChem CID 6421505) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethyl tetradecyl carbonate.

Molecular Properties

Compound Nameethyl tetradecyl carbonate
PubChem CID6421505
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Nameethyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OCC
InChIInChI=1S/C17H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19-4-2/h3-16H2,1-2H3
InChIKeyUMYLPHGSBJVVPL-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl heptadecyl carbonate
CID 6421524
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
butyl pentyl carbonate
CID 545576
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
hexoxycarbonyl hexyl carbonate
CID 18974231
2-iodoethyl octyl carbonate
CID 15009140

Frequently Asked Questions

What is the IUPAC name of ethyl tetradecyl carbonate?
The IUPAC name of ethyl tetradecyl carbonate (CID 6421505) is ethyl tetradecyl carbonate.
What is the SMILES notation for ethyl tetradecyl carbonate?
The canonical SMILES for ethyl tetradecyl carbonate is CCCCCCCCCCCCCCOC(=O)OCC.
What is the InChIKey of ethyl tetradecyl carbonate?
The InChIKey is UMYLPHGSBJVVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19-4-2/h3-16H2,1-2H3.
What are the key properties of ethyl tetradecyl carbonate?
ethyl tetradecyl carbonate has a molecular weight of 286.46 g/mol, XLogP of 5.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetradecyl carbonate is sourced from PubChem (CID 6421505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).