ethyl 6-oxo-2-undecyloxane-2-carboxylate

C19H34O4 — CID 11484210

IUPACethyl 6-oxo-2-undecyloxane-2-carboxylate
SMILESCCCCCCCCCCCC1(C(=O)OCC)CCCC(=O)O1
InChIInChI=1S/C19H34O4/c1-3-5-6-7-8-9-10-11-12-15-19(18(21)22-4-2)16-13-14-17(20)23-19/h3-16H2,1-2H3
InChIKeyGDLALKMBTQBXCV-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.94
Rot. Bonds12

About ethyl 6-oxo-2-undecyloxane-2-carboxylate

ethyl 6-oxo-2-undecyloxane-2-carboxylate (PubChem CID 11484210) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl 6-oxo-2-undecyloxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-undecyloxane-2-carboxylate
PubChem CID11484210
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Nameethyl 6-oxo-2-undecyloxane-2-carboxylate
SMILESCCCCCCCCCCCC1(C(=O)OCC)CCCC(=O)O1
InChIInChI=1S/C19H34O4/c1-3-5-6-7-8-9-10-11-12-15-19(18(21)22-4-2)16-13-14-17(20)23-19/h3-16H2,1-2H3
InChIKeyGDLALKMBTQBXCV-UHFFFAOYSA-N
XLogP4.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-undecyloxane-2-carboxylate?
The IUPAC name of ethyl 6-oxo-2-undecyloxane-2-carboxylate (CID 11484210) is ethyl 6-oxo-2-undecyloxane-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-undecyloxane-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-undecyloxane-2-carboxylate is CCCCCCCCCCCC1(C(=O)OCC)CCCC(=O)O1.
What is the InChIKey of ethyl 6-oxo-2-undecyloxane-2-carboxylate?
The InChIKey is GDLALKMBTQBXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-3-5-6-7-8-9-10-11-12-15-19(18(21)22-4-2)16-13-14-17(20)23-19/h3-16H2,1-2H3.
What are the key properties of ethyl 6-oxo-2-undecyloxane-2-carboxylate?
ethyl 6-oxo-2-undecyloxane-2-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-undecyloxane-2-carboxylate is sourced from PubChem (CID 11484210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).