7-methylbicyclo[4.2.0]octa-2,4-diene

C9H12 — CID 14703991

IUPAC7-methylbicyclo[4.2.0]octa-2,4-diene
SMILESCC1CC2C=CC=CC12
InChIInChI=1S/C9H12/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7-9H,6H2,1H3
InChIKeyAIVMHWDZNWCIMF-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.38
Rot. Bonds

About 7-methylbicyclo[4.2.0]octa-2,4-diene

7-methylbicyclo[4.2.0]octa-2,4-diene (PubChem CID 14703991) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 7-methylbicyclo[4.2.0]octa-2,4-diene.

Molecular Properties

Compound Name7-methylbicyclo[4.2.0]octa-2,4-diene
PubChem CID14703991
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name7-methylbicyclo[4.2.0]octa-2,4-diene
SMILESCC1CC2C=CC=CC12
InChIInChI=1S/C9H12/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7-9H,6H2,1H3
InChIKeyAIVMHWDZNWCIMF-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 156675189
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
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CID 135219400
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327
ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
CID 142195088
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[4.2.0]octa-2,4-diene?
The IUPAC name of 7-methylbicyclo[4.2.0]octa-2,4-diene (CID 14703991) is 7-methylbicyclo[4.2.0]octa-2,4-diene.
What is the SMILES notation for 7-methylbicyclo[4.2.0]octa-2,4-diene?
The canonical SMILES for 7-methylbicyclo[4.2.0]octa-2,4-diene is CC1CC2C=CC=CC12.
What is the InChIKey of 7-methylbicyclo[4.2.0]octa-2,4-diene?
The InChIKey is AIVMHWDZNWCIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-6-8-4-2-3-5-9(7)8/h2-5,7-9H,6H2,1H3.
What are the key properties of 7-methylbicyclo[4.2.0]octa-2,4-diene?
7-methylbicyclo[4.2.0]octa-2,4-diene has a molecular weight of 120.19 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[4.2.0]octa-2,4-diene is sourced from PubChem (CID 14703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).