4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene

C12H16 — CID 3437714

IUPAC4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=CC2C3CC(C=C3C)C2C1
InChIInChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3
InChIKeyIYQYZZHQSZMZIG-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.16
Rot. Bonds

About 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene

4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 3437714) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID3437714
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=CC2C3CC(C=C3C)C2C1
InChIInChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3
InChIKeyIYQYZZHQSZMZIG-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.16
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 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 3437714) is 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is CC1=CC2C3CC(C=C3C)C2C1.
What is the InChIKey of 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is IYQYZZHQSZMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3.
What are the key properties of 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 160.26 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 3437714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).