5-methylcyclohepta-1,2-diene

C8H12 — CID 123486192

IUPAC5-methylcyclohepta-1,2-diene
SMILESCC1CC=C=CCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,5,8H,4,6-7H2,1H3
InChIKeyMLEGLXIQHSLDSD-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.52
Rot. Bonds

About 5-methylcyclohepta-1,2-diene

5-methylcyclohepta-1,2-diene (PubChem CID 123486192) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 5-methylcyclohepta-1,2-diene.

Molecular Properties

Compound Name5-methylcyclohepta-1,2-diene
PubChem CID123486192
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name5-methylcyclohepta-1,2-diene
SMILESCC1CC=C=CCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,5,8H,4,6-7H2,1H3
InChIKeyMLEGLXIQHSLDSD-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methylcyclohexene;propane
CID 143195942
ethane;4-methylcycloheptene
CID 142851134
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
7-methylbicyclo[4.1.0]hepta-2,3-diene
CID 163995188
cyclopenta-1,2-diene;dichloroplatinum
CID 87452625
1,5-dimethylcyclohexa-1,2-diene;ethane
CID 142867199
cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate
CID 157103803
(5S)-3-deuterio-5-methylcyclohexene
CID 10606702
5-methylcyclononene
CID 524408
ethane;methylcyclopropane
CID 158329065
1,4-dimethylcyclodecene
CID 173437289
(5R)-5-methylcyclohexene-1-carbaldehyde
CID 54558151

Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohepta-1,2-diene?
The IUPAC name of 5-methylcyclohepta-1,2-diene (CID 123486192) is 5-methylcyclohepta-1,2-diene.
What is the SMILES notation for 5-methylcyclohepta-1,2-diene?
The canonical SMILES for 5-methylcyclohepta-1,2-diene is CC1CC=C=CCC1.
What is the InChIKey of 5-methylcyclohepta-1,2-diene?
The InChIKey is MLEGLXIQHSLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,5,8H,4,6-7H2,1H3.
What are the key properties of 5-methylcyclohepta-1,2-diene?
5-methylcyclohepta-1,2-diene has a molecular weight of 108.18 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohepta-1,2-diene is sourced from PubChem (CID 123486192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).