3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene

C12H18 — CID 123867057

IUPAC3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene
SMILESCC1=CC2=C(CCC1)C(C)C2C
InChIInChI=1S/C12H18/c1-8-5-4-6-11-9(2)10(3)12(11)7-8/h7,9-10H,4-6H2,1-3H3
InChIKeyXVGIGRVURIFHHH-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene

3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene (PubChem CID 123867057) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene.

Molecular Properties

Compound Name3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene
PubChem CID123867057
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene
SMILESCC1=CC2=C(CCC1)C(C)C2C
InChIInChI=1S/C12H18/c1-8-5-4-6-11-9(2)10(3)12(11)7-8/h7,9-10H,4-6H2,1-3H3
InChIKeyXVGIGRVURIFHHH-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene?
The IUPAC name of 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene (CID 123867057) is 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene.
What is the SMILES notation for 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene?
The canonical SMILES for 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene is CC1=CC2=C(CCC1)C(C)C2C.
What is the InChIKey of 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene?
The InChIKey is XVGIGRVURIFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-8-5-4-6-11-9(2)10(3)12(11)7-8/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene?
3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,9-trimethylbicyclo[5.2.0]nona-1(7),2-diene is sourced from PubChem (CID 123867057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).