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

C12H18O2 — CID 155742439

IUPAC7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C12H18O2/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12/h8H,4-7H2,1-3H3
InChIKeyVBJYMACBCODPNS-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.34
Rot. Bonds1

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

7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (PubChem CID 155742439) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
PubChem CID155742439
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C12H18O2/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12/h8H,4-7H2,1-3H3
InChIKeyVBJYMACBCODPNS-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-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

5,6-Ditert-butyl-3-propyl-2,3-dihydropyran-4-one
CID 23552436
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
7-Ethyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155742446
(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 10888521
3-Ethoxy-5,5-dimethyl-2-propan-2-ylcyclopent-2-en-1-one
CID 14890155
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154589
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758236
Cyclopenten-1-yl-(2-ethyloxolan-3-yl)methanone
CID 105735748
Cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone
CID 114824782

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (CID 155742439) is 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is CC1=C(C(C)C)C(=O)C2(CCOC2)C1.
What is the InChIKey of 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The InChIKey is VBJYMACBCODPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12/h8H,4-7H2,1-3H3.
What are the key properties of 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one has a molecular weight of 194.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 155742439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).