2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene

C15H24 — CID 535294

IUPAC2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene
SMILESCC1(C)C=CC(C)(C)C2C1C1C2C1(C)C
InChIInChI=1S/C15H24/c1-13(2)7-8-14(3,4)10-9(13)11-12(10)15(11,5)6/h7-12H,1-6H3
InChIKeyJKMRUZRVAKMLSX-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.13
Rot. Bonds

About 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene

2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene (PubChem CID 535294) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene.

Molecular Properties

Compound Name2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene
PubChem CID535294
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene
SMILESCC1(C)C=CC(C)(C)C2C1C1C2C1(C)C
InChIInChI=1S/C15H24/c1-13(2)7-8-14(3,4)10-9(13)11-12(10)15(11,5)6/h7-12H,1-6H3
InChIKeyJKMRUZRVAKMLSX-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.13
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 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene?
The IUPAC name of 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene (CID 535294) is 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene.
What is the SMILES notation for 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene?
The canonical SMILES for 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene is CC1(C)C=CC(C)(C)C2C1C1C2C1(C)C.
What is the InChIKey of 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene?
The InChIKey is JKMRUZRVAKMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)7-8-14(3,4)10-9(13)11-12(10)15(11,5)6/h7-12H,1-6H3.
What are the key properties of 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene?
2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene has a molecular weight of 204.36 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5,8,8-hexamethyltricyclo[4.3.0.07,9]non-3-ene is sourced from PubChem (CID 535294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).