ethyl 2-tetradecyloxetane-2-carboxylate

C20H38O3 — CID 70181819

IUPACethyl 2-tetradecyloxetane-2-carboxylate
SMILESCCCCCCCCCCCCCCC1(C(=O)OCC)CCO1
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-23-20)19(21)22-4-2/h3-18H2,1-2H3
InChIKeyHQHUPJGTDXRWTJ-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.80
Rot. Bonds15

About ethyl 2-tetradecyloxetane-2-carboxylate

ethyl 2-tetradecyloxetane-2-carboxylate (PubChem CID 70181819) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is ethyl 2-tetradecyloxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-tetradecyloxetane-2-carboxylate
PubChem CID70181819
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Nameethyl 2-tetradecyloxetane-2-carboxylate
SMILESCCCCCCCCCCCCCCC1(C(=O)OCC)CCO1
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-23-20)19(21)22-4-2/h3-18H2,1-2H3
InChIKeyHQHUPJGTDXRWTJ-UHFFFAOYSA-N
XLogP5.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.80
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tetradecyloxetane-2-carboxylate?
The IUPAC name of ethyl 2-tetradecyloxetane-2-carboxylate (CID 70181819) is ethyl 2-tetradecyloxetane-2-carboxylate.
What is the SMILES notation for ethyl 2-tetradecyloxetane-2-carboxylate?
The canonical SMILES for ethyl 2-tetradecyloxetane-2-carboxylate is CCCCCCCCCCCCCCC1(C(=O)OCC)CCO1.
What is the InChIKey of ethyl 2-tetradecyloxetane-2-carboxylate?
The InChIKey is HQHUPJGTDXRWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-23-20)19(21)22-4-2/h3-18H2,1-2H3.
What are the key properties of ethyl 2-tetradecyloxetane-2-carboxylate?
ethyl 2-tetradecyloxetane-2-carboxylate has a molecular weight of 326.52 g/mol, XLogP of 5.80, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tetradecyloxetane-2-carboxylate is sourced from PubChem (CID 70181819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).