6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene

C15H22 — CID 123941460

IUPAC6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene
SMILESCC1=C(C)C2CC3CCC(=CC1C)C3C2
InChIInChI=1S/C15H22/c1-9-6-12-4-5-13-7-14(8-15(12)13)11(3)10(9)2/h6,9,13-15H,4-5,7-8H2,1-3H3
InChIKeyOGXCHWQBUNNFRX-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds

About 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene

6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene (PubChem CID 123941460) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene.

Molecular Properties

Compound Name6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene
PubChem CID123941460
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene
SMILESCC1=C(C)C2CC3CCC(=CC1C)C3C2
InChIInChI=1S/C15H22/c1-9-6-12-4-5-13-7-14(8-15(12)13)11(3)10(9)2/h6,9,13-15H,4-5,7-8H2,1-3H3
InChIKeyOGXCHWQBUNNFRX-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.34
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 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene?
The IUPAC name of 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene (CID 123941460) is 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene.
What is the SMILES notation for 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene?
The canonical SMILES for 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene is CC1=C(C)C2CC3CCC(=CC1C)C3C2.
What is the InChIKey of 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene?
The InChIKey is OGXCHWQBUNNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-9-6-12-4-5-13-7-14(8-15(12)13)11(3)10(9)2/h6,9,13-15H,4-5,7-8H2,1-3H3.
What are the key properties of 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene?
6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene has a molecular weight of 202.34 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyltricyclo[7.2.1.04,11]dodeca-4,7-diene is sourced from PubChem (CID 123941460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).