ethyl tetradecanoate

C32H64O4 — CID 89052756

IUPACethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC
InChIInChI=1S/2C16H32O2/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h2*3-15H2,1-2H3
InChIKeyIETPCGVKNUMUNF-UHFFFAOYSA-N
MW512.86 g/mol
LogP10.50
Rot. Bonds26

About ethyl tetradecanoate

ethyl tetradecanoate (PubChem CID 89052756) has the molecular formula C32H64O4 and a molecular weight of 512.86 g/mol. Its IUPAC name is ethyl tetradecanoate.

Molecular Properties

Compound Nameethyl tetradecanoate
PubChem CID89052756
Molecular FormulaC32H64O4
Molecular Weight512.86 g/mol
Exact Mass512.48
IUPAC Nameethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC
InChIInChI=1S/2C16H32O2/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h2*3-15H2,1-2H3
InChIKeyIETPCGVKNUMUNF-UHFFFAOYSA-N
XLogP10.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.86
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentakis(ethyl octanoate);hexane
CID 173194775
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;titanium
CID 87406037
ethyl hexanoate;rhodium
CID 87383837

Frequently Asked Questions

What is the IUPAC name of ethyl tetradecanoate?
The IUPAC name of ethyl tetradecanoate (CID 89052756) is ethyl tetradecanoate.
What is the SMILES notation for ethyl tetradecanoate?
The canonical SMILES for ethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl tetradecanoate?
The InChIKey is IETPCGVKNUMUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32O2/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h2*3-15H2,1-2H3.
What are the key properties of ethyl tetradecanoate?
ethyl tetradecanoate has a molecular weight of 512.86 g/mol, XLogP of 10.50, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetradecanoate is sourced from PubChem (CID 89052756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).