4,7,9-trimethylspiro[4.5]dec-8-ene

C13H22 — CID 141056320

IUPAC4,7,9-trimethylspiro[4.5]dec-8-ene
SMILESCC1=CC(C)CC2(CCCC2C)C1
InChIInChI=1S/C13H22/c1-10-7-11(2)9-13(8-10)6-4-5-12(13)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyGOWOWRPLSYBFAW-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds

About 4,7,9-trimethylspiro[4.5]dec-8-ene

4,7,9-trimethylspiro[4.5]dec-8-ene (PubChem CID 141056320) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4,7,9-trimethylspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name4,7,9-trimethylspiro[4.5]dec-8-ene
PubChem CID141056320
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4,7,9-trimethylspiro[4.5]dec-8-ene
SMILESCC1=CC(C)CC2(CCCC2C)C1
InChIInChI=1S/C13H22/c1-10-7-11(2)9-13(8-10)6-4-5-12(13)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyGOWOWRPLSYBFAW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7,9-trimethylspiro[4.5]dec-8-en-4-ol
CID 22935668
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(9R)-9-methylspiro[3.5]nonane
CID 140885739
(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
(3S)-1,3-dimethylcyclobutene
CID 58737300
3-methylspiro[3.5]nonane
CID 57473010
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
4-methyl-7-azaspiro[4.5]decan-8-one
CID 102737251
(1R,4aR)-4a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-1-ol
CID 102119554
(1S,5R,8R)-10-methyl-12-oxatricyclo[6.3.1.01,5]dodec-9-ene
CID 22829453
3,11-dimethyl-3-azaspiro[5.5]undecane
CID 118029302

Frequently Asked Questions

What is the IUPAC name of 4,7,9-trimethylspiro[4.5]dec-8-ene?
The IUPAC name of 4,7,9-trimethylspiro[4.5]dec-8-ene (CID 141056320) is 4,7,9-trimethylspiro[4.5]dec-8-ene.
What is the SMILES notation for 4,7,9-trimethylspiro[4.5]dec-8-ene?
The canonical SMILES for 4,7,9-trimethylspiro[4.5]dec-8-ene is CC1=CC(C)CC2(CCCC2C)C1.
What is the InChIKey of 4,7,9-trimethylspiro[4.5]dec-8-ene?
The InChIKey is GOWOWRPLSYBFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10-7-11(2)9-13(8-10)6-4-5-12(13)3/h7,10,12H,4-6,8-9H2,1-3H3.
What are the key properties of 4,7,9-trimethylspiro[4.5]dec-8-ene?
4,7,9-trimethylspiro[4.5]dec-8-ene has a molecular weight of 178.32 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,9-trimethylspiro[4.5]dec-8-ene is sourced from PubChem (CID 141056320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).