3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene

C10H10 — CID 91197631

IUPAC3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESCC1=Cc2ccc(C)cc21
InChIInChI=1S/C10H10/c1-7-3-4-9-6-8(2)10(9)5-7/h3-6H,1-2H3
InChIKeyKGDSZFWURIWQRG-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.87
Rot. Bonds

About 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene

3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene (PubChem CID 91197631) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene.

Molecular Properties

Compound Name3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene
PubChem CID91197631
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene
SMILESCC1=Cc2ccc(C)cc21
InChIInChI=1S/C10H10/c1-7-3-4-9-6-8(2)10(9)5-7/h3-6H,1-2H3
InChIKeyKGDSZFWURIWQRG-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The IUPAC name of 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene (CID 91197631) is 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene.
What is the SMILES notation for 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The canonical SMILES for 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene is CC1=Cc2ccc(C)cc21.
What is the InChIKey of 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
The InChIKey is KGDSZFWURIWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-7-3-4-9-6-8(2)10(9)5-7/h3-6H,1-2H3.
What are the key properties of 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene?
3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene has a molecular weight of 130.19 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene is sourced from PubChem (CID 91197631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).