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

C12H16 — CID 2723852

IUPAC3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=CC2CC1C1C(C)=CCC21
InChIInChI=1S/C12H16/c1-7-3-4-10-9-5-8(2)11(6-9)12(7)10/h3,5,9-12H,4,6H2,1-2H3
InChIKeyNUAKIPFPYYHNLG-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.16
Rot. Bonds

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

3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 2723852) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID2723852
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=CC2CC1C1C(C)=CCC21
InChIInChI=1S/C12H16/c1-7-3-4-10-9-5-8(2)11(6-9)12(7)10/h3,5,9-12H,4,6H2,1-2H3
InChIKeyNUAKIPFPYYHNLG-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 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 2723852) is 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is CC1=CC2CC1C1C(C)=CCC21.
What is the InChIKey of 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is NUAKIPFPYYHNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-7-3-4-10-9-5-8(2)11(6-9)12(7)10/h3,5,9-12H,4,6H2,1-2H3.
What are the key properties of 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
3,9-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 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 2723852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).