7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one

C15H24O2 — CID 73014221

IUPAC7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one
SMILESCCOC1=CC(=O)C12CCC(C(C)(C)C)CC2
InChIInChI=1S/C15H24O2/c1-5-17-13-10-12(16)15(13)8-6-11(7-9-15)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIENUXOMVXJQOOT-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.71
Rot. Bonds2

About 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one

7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one (PubChem CID 73014221) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one.

Molecular Properties

Compound Name7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one
PubChem CID73014221
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one
SMILESCCOC1=CC(=O)C12CCC(C(C)(C)C)CC2
InChIInChI=1S/C15H24O2/c1-5-17-13-10-12(16)15(13)8-6-11(7-9-15)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIENUXOMVXJQOOT-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one?
The IUPAC name of 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one (CID 73014221) is 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one.
What is the SMILES notation for 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one?
The canonical SMILES for 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one is CCOC1=CC(=O)C12CCC(C(C)(C)C)CC2.
What is the InChIKey of 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one?
The InChIKey is IENUXOMVXJQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-17-13-10-12(16)15(13)8-6-11(7-9-15)14(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one?
7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-ethoxyspiro[3.5]non-1-en-3-one is sourced from PubChem (CID 73014221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).