(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one

C15H24O — CID 11390393

IUPAC(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one
SMILESCC1=C[C@]2(CC1)C(=O)[C@@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-13H,5-8H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyQNBZTVMULSMDFT-GUTXKFCHSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one

(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one (PubChem CID 11390393) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one.

Molecular Properties

Compound Name(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one
PubChem CID11390393
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one
SMILESCC1=C[C@]2(CC1)C(=O)[C@@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-13H,5-8H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyQNBZTVMULSMDFT-GUTXKFCHSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-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

(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
CID 135019810
(5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]deca-3,6-diene
CID 15860318
(5S,6R,10R)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
CID 171119359
(5R,6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
CID 44512489
2-(4-fluorophenyl)-4-methyl-7-propan-2-ylspiro[2.5]octan-8-one
CID 3437376
(1R,4R,4aS)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
CID 91748042
(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene
CID 162904405
4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
CID 71439092
1-methylspiro[4.5]deca-7,9-dien-4-one
CID 11449487
(4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-yl)-methanidylazanium
CID 163151965
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248

Frequently Asked Questions

What is the IUPAC name of (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one?
The IUPAC name of (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one (CID 11390393) is (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one.
What is the SMILES notation for (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one?
The canonical SMILES for (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one is CC1=C[C@]2(CC1)C(=O)[C@@H](C(C)C)CC[C@@H]2C.
What is the InChIKey of (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one?
The InChIKey is QNBZTVMULSMDFT-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-13H,5-8H2,1-4H3/t12-,13+,15-/m0/s1.
What are the key properties of (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one?
(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one is sourced from PubChem (CID 11390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).