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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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).