ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate

C16H26O3 — CID 15864404

IUPACethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate
SMILESCCOC(=O)CC1OC2(CCCC2)C(CC)=C1CC
InChIInChI=1S/C16H26O3/c1-4-12-13(5-2)16(9-7-8-10-16)19-14(12)11-15(17)18-6-3/h14H,4-11H2,1-3H3
InChIKeyWDTQGXDXVQHNHU-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate

ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate (PubChem CID 15864404) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate
PubChem CID15864404
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Nameethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate
SMILESCCOC(=O)CC1OC2(CCCC2)C(CC)=C1CC
InChIInChI=1S/C16H26O3/c1-4-12-13(5-2)16(9-7-8-10-16)19-14(12)11-15(17)18-6-3/h14H,4-11H2,1-3H3
InChIKeyWDTQGXDXVQHNHU-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate (CID 15864404) is ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate is CCOC(=O)CC1OC2(CCCC2)C(CC)=C1CC.
What is the InChIKey of ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate?
The InChIKey is WDTQGXDXVQHNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-12-13(5-2)16(9-7-8-10-16)19-14(12)11-15(17)18-6-3/h14H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate?
ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate has a molecular weight of 266.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate is sourced from PubChem (CID 15864404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).