3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one

C15H24O — CID 10398572

IUPAC3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one
SMILESCC1=CC(C)C2(CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15(12(2)10-11)8-5-7-14(3,4)13(15)16/h10,12H,5-9H2,1-4H3
InChIKeyIEODHCKRVCQYNH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds

About 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one

3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one (PubChem CID 10398572) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one.

Molecular Properties

Compound Name3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one
PubChem CID10398572
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one
SMILESCC1=CC(C)C2(CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C15H24O/c1-11-6-9-15(12(2)10-11)8-5-7-14(3,4)13(15)16/h10,12H,5-9H2,1-4H3
InChIKeyIEODHCKRVCQYNH-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-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

(+)-Nootkatone
CID 1268142
Tetrahydro-pseudo-ionone
CID 102604
alpha-Damascone
CID 520506
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone
CID 108242
Nerone
CID 35785
Dihydrodehydro-beta-ionone
CID 577126
Dihydro-alpha-ionone
CID 35821
Dehydrofukinone
CID 177072
2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
CID 175661
Solavetivone
CID 442399
Cyclohexenylcyclohexanone
CID 101175
Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-
CID 44079

Frequently Asked Questions

What is the IUPAC name of 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one?
The IUPAC name of 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one (CID 10398572) is 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one.
What is the SMILES notation for 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one?
The canonical SMILES for 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one is CC1=CC(C)C2(CCCC(C)(C)C2=O)CC1.
What is the InChIKey of 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one?
The InChIKey is IEODHCKRVCQYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-9-15(12(2)10-11)8-5-7-14(3,4)13(15)16/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one?
3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,10,10-tetramethylspiro[5.5]undec-3-en-11-one is sourced from PubChem (CID 10398572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).