ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate

C17H28O3 — CID 10956898

IUPACethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate
SMILESCCOC(=O)CC1OC2(CCCCC2)C(CC)=C1CC
InChIInChI=1S/C17H28O3/c1-4-13-14(5-2)17(10-8-7-9-11-17)20-15(13)12-16(18)19-6-3/h15H,4-12H2,1-3H3
InChIKeyIAFFTIANWTWRKE-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.16
Rot. Bonds5

About ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate

ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate (PubChem CID 10956898) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate
PubChem CID10956898
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Nameethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate
SMILESCCOC(=O)CC1OC2(CCCCC2)C(CC)=C1CC
InChIInChI=1S/C17H28O3/c1-4-13-14(5-2)17(10-8-7-9-11-17)20-15(13)12-16(18)19-6-3/h15H,4-12H2,1-3H3
InChIKeyIAFFTIANWTWRKE-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.16
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[4.5]dec-3-en-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate (CID 10956898) is ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate is CCOC(=O)CC1OC2(CCCCC2)C(CC)=C1CC.
What is the InChIKey of ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate?
The InChIKey is IAFFTIANWTWRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-4-13-14(5-2)17(10-8-7-9-11-17)20-15(13)12-16(18)19-6-3/h15H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate?
ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate has a molecular weight of 280.41 g/mol, XLogP of 4.16, 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[4.5]dec-3-en-2-yl)acetate is sourced from PubChem (CID 10956898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).