5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene

C8H8 — CID 59741526

IUPAC5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene
SMILESCC1C2=C(C2)C2=C1C2
InChIInChI=1S/C8H8/c1-4-5-2-7(5)8-3-6(4)8/h4H,2-3H2,1H3
InChIKeyVWWJPNCCALAPJR-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.04
Rot. Bonds

About 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene

5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene (PubChem CID 59741526) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene.

Molecular Properties

Compound Name5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene
PubChem CID59741526
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene
SMILESCC1C2=C(C2)C2=C1C2
InChIInChI=1S/C8H8/c1-4-5-2-7(5)8-3-6(4)8/h4H,2-3H2,1H3
InChIKeyVWWJPNCCALAPJR-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butyl-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 12160826
9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 17765507
2-ethyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 17783031
1,3-diethyl-2-methyl-4,5,6,7-tetrahydro-1H-indene
CID 17783037
9-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 17783068
1-ethyl-2,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 17783105
1,2,3-triethyl-4,5,6,7-tetrahydro-1H-indene
CID 17783108
1,2-diethyl-3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 17783113
carbanide;9-ethyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide;titanium(4+)
CID 17783139
1,2,3-Trimethyl-4,5,6,7-tetrahydro-1H-indene
CID 18694626
2,3,4,4a,5,6,7,8-octahydro-9-methyl-1H-fluorene
CID 21981524
2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 91261352

Frequently Asked Questions

What is the IUPAC name of 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene?
The IUPAC name of 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene (CID 59741526) is 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene.
What is the SMILES notation for 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene?
The canonical SMILES for 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene is CC1C2=C(C2)C2=C1C2.
What is the InChIKey of 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene?
The InChIKey is VWWJPNCCALAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-4-5-2-7(5)8-3-6(4)8/h4H,2-3H2,1H3.
What are the key properties of 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene?
5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene has a molecular weight of 104.15 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltricyclo[4.1.0.02,4]hepta-1(6),2(4)-diene is sourced from PubChem (CID 59741526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).