3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene

C8H12 — CID 123233976

IUPAC3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene
SMILESCC1=C2CC(C)C1C2
InChIInChI=1S/C8H12/c1-5-3-7-4-8(5)6(7)2/h5,8H,3-4H2,1-2H3
InChIKeyPQQOXENVVGLBGJ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene

3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene (PubChem CID 123233976) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene.

Molecular Properties

Compound Name3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene
PubChem CID123233976
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene
SMILESCC1=C2CC(C)C1C2
InChIInChI=1S/C8H12/c1-5-3-7-4-8(5)6(7)2/h5,8H,3-4H2,1-2H3
InChIKeyPQQOXENVVGLBGJ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-ethyl-3-methylbicyclo[2.1.1]hex-1(5)-ene
CID 163416464
3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene
CID 57279457
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
3-ethyl-2,6-dimethylbicyclo[3.2.0]hept-1-ene
CID 123515175
1,2,3,4,5-pentamethylcyclohexa-1,3-diene
CID 14737646
2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol
CID 140968985
1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
CID 167554926
2,3,6,7-tetramethyl-2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione
CID 24974465
1,2,3,6-tetramethylcyclohexene
CID 21243938
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
5-methylbicyclo[4.1.0]hept-1-ene
CID 123971358

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene?
The IUPAC name of 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene (CID 123233976) is 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene.
What is the SMILES notation for 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene?
The canonical SMILES for 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene is CC1=C2CC(C)C1C2.
What is the InChIKey of 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene?
The InChIKey is PQQOXENVVGLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-7-4-8(5)6(7)2/h5,8H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene?
3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylbicyclo[2.1.1]hex-1(5)-ene is sourced from PubChem (CID 123233976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).