ethyl 3-(triethoxymethyl)pentanoate

C14H28O5 — CID 134920469

IUPACethyl 3-(triethoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)C(OCC)(OCC)OCC
InChIInChI=1S/C14H28O5/c1-6-12(11-13(15)16-7-2)14(17-8-3,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyAPMLJXRJJGJGMO-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.73
Rot. Bonds11

About ethyl 3-(triethoxymethyl)pentanoate

ethyl 3-(triethoxymethyl)pentanoate (PubChem CID 134920469) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is ethyl 3-(triethoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(triethoxymethyl)pentanoate
PubChem CID134920469
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Nameethyl 3-(triethoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)C(OCC)(OCC)OCC
InChIInChI=1S/C14H28O5/c1-6-12(11-13(15)16-7-2)14(17-8-3,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyAPMLJXRJJGJGMO-UHFFFAOYSA-N
XLogP2.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(triethoxymethyl)pentanoate?
The IUPAC name of ethyl 3-(triethoxymethyl)pentanoate (CID 134920469) is ethyl 3-(triethoxymethyl)pentanoate.
What is the SMILES notation for ethyl 3-(triethoxymethyl)pentanoate?
The canonical SMILES for ethyl 3-(triethoxymethyl)pentanoate is CCOC(=O)CC(CC)C(OCC)(OCC)OCC.
What is the InChIKey of ethyl 3-(triethoxymethyl)pentanoate?
The InChIKey is APMLJXRJJGJGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-6-12(11-13(15)16-7-2)14(17-8-3,18-9-4)19-10-5/h12H,6-11H2,1-5H3.
What are the key properties of ethyl 3-(triethoxymethyl)pentanoate?
ethyl 3-(triethoxymethyl)pentanoate has a molecular weight of 276.37 g/mol, XLogP of 2.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(triethoxymethyl)pentanoate is sourced from PubChem (CID 134920469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).