7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

C13H20O2 — CID 155742446

IUPAC7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCCC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C13H20O2/c1-4-10-7-13(5-6-15-8-13)12(14)11(10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyKWMKKUVNSGYWDM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.73
Rot. Bonds2

About 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (PubChem CID 155742446) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
PubChem CID155742446
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCCC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C13H20O2/c1-4-10-7-13(5-6-15-8-13)12(14)11(10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyKWMKKUVNSGYWDM-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Ethoxyethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 5324059
3-Butyl-5,6-ditert-butyl-2,3-dihydropyran-4-one
CID 23402619
1-(3,3-Dimethyl-2-bicyclo[2.2.1]hept-1-enyl)-3-methoxyhexan-1-one
CID 70612503
7,8-Di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one
CID 155411802
8-Ethyl-7-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155412494
Ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155742438
(6aS,9aR)-3,6,9a-trimethyl-2,3,3a,6a,7,8,9,9b-octahydroazuleno[4,5-b]furan-4-one
CID 168137025
2-[3-(2-Ethoxyethyl)-2,2-dimethylcyclopropyl]-3-methylcyclopent-2-en-1-one
CID 176268873
(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 10888521
3-(3-Methoxybutanoyl)-2,4,4-trimethylcyclohex-2-en-1-one
CID 16751936
Cyclopenten-1-yl(oxolan-3-yl)methanone
CID 62078833
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154589

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (CID 155742446) is 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is CCC1=C(C(C)C)C(=O)C2(CCOC2)C1.
What is the InChIKey of 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The InChIKey is KWMKKUVNSGYWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-10-7-13(5-6-15-8-13)12(14)11(10)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one has a molecular weight of 208.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 155742446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).