(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one

C15H22O — CID 91715666

IUPAC(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C[C@@H](C)[C@]12CCCC2=C(C)C
InChIInChI=1S/C15H22O/c1-10(2)14-6-5-7-15(14)11(3)8-13(16)9-12(15)4/h8,12H,5-7,9H2,1-4H3/t12-,15+/m1/s1
InChIKeyFRFUTKHLLZXSEK-DOMZBBRYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds

About (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one

(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one (PubChem CID 91715666) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one
PubChem CID91715666
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C[C@@H](C)[C@]12CCCC2=C(C)C
InChIInChI=1S/C15H22O/c1-10(2)14-6-5-7-15(14)11(3)8-13(16)9-12(15)4/h8,12H,5-7,9H2,1-4H3/t12-,15+/m1/s1
InChIKeyFRFUTKHLLZXSEK-DOMZBBRYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The IUPAC name of (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one (CID 91715666) is (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The canonical SMILES for (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one is CC1=CC(=O)C[C@@H](C)[C@]12CCCC2=C(C)C.
What is the InChIKey of (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
The InChIKey is FRFUTKHLLZXSEK-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)14-6-5-7-15(14)11(3)8-13(16)9-12(15)4/h8,12H,5-7,9H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one?
(5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one has a molecular weight of 218.34 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6,10-dimethyl-4-propan-2-ylidenespiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 91715666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).