6-methylbicyclo[3.2.0]hepta-1(5),6-diene

C8H10 — CID 91189897

IUPAC6-methylbicyclo[3.2.0]hepta-1(5),6-diene
SMILESCC1=CC2=C1CCC2
InChIInChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h5H,2-4H2,1H3
InChIKeyFSNNNEDKYQDHFS-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.43
Rot. Bonds

About 6-methylbicyclo[3.2.0]hepta-1(5),6-diene

6-methylbicyclo[3.2.0]hepta-1(5),6-diene (PubChem CID 91189897) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 6-methylbicyclo[3.2.0]hepta-1(5),6-diene.

Molecular Properties

Compound Name6-methylbicyclo[3.2.0]hepta-1(5),6-diene
PubChem CID91189897
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name6-methylbicyclo[3.2.0]hepta-1(5),6-diene
SMILESCC1=CC2=C1CCC2
InChIInChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h5H,2-4H2,1H3
InChIKeyFSNNNEDKYQDHFS-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5-(4-methylphenyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
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tricyclo[4.3.0.02,7]nona-1,6-diene
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CID 142044962
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2,3-dihydro-1H-pentalene
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1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
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6-methyl-2,3-dihydro-1H-azulene
CID 123671849
1,1,3-trimethyl-4,5,6,7-tetrahydroindene
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Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[3.2.0]hepta-1(5),6-diene?
The IUPAC name of 6-methylbicyclo[3.2.0]hepta-1(5),6-diene (CID 91189897) is 6-methylbicyclo[3.2.0]hepta-1(5),6-diene.
What is the SMILES notation for 6-methylbicyclo[3.2.0]hepta-1(5),6-diene?
The canonical SMILES for 6-methylbicyclo[3.2.0]hepta-1(5),6-diene is CC1=CC2=C1CCC2.
What is the InChIKey of 6-methylbicyclo[3.2.0]hepta-1(5),6-diene?
The InChIKey is FSNNNEDKYQDHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h5H,2-4H2,1H3.
What are the key properties of 6-methylbicyclo[3.2.0]hepta-1(5),6-diene?
6-methylbicyclo[3.2.0]hepta-1(5),6-diene has a molecular weight of 106.17 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[3.2.0]hepta-1(5),6-diene is sourced from PubChem (CID 91189897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).