5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane

C11H20 — CID 90928180

IUPAC5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
SMILESCC.CC1C2C=CC(C2)C1C
InChIInChI=1S/C9H14.C2H6/c1-6-7(2)9-4-3-8(6)5-9;1-2/h3-4,6-9H,5H2,1-2H3;1-2H3
InChIKeyUPQTYKMYNIKMGE-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.49
Rot. Bonds

About 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane

5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane (PubChem CID 90928180) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane.

Molecular Properties

Compound Name5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
PubChem CID90928180
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
SMILESCC.CC1C2C=CC(C2)C1C
InChIInChI=1S/C9H14.C2H6/c1-6-7(2)9-4-3-8(6)5-9;1-2/h3-4,6-9H,5H2,1-2H3;1-2H3
InChIKeyUPQTYKMYNIKMGE-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.49
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

5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane;prop-2-enoic acid;ruthenium
CID 162006532
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
CID 59956778
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748264
(4S,5R)-4,5-dimethyl-2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
CID 11106592
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
CID 59748331
(4S)-7-methylbicyclo[2.2.1]hept-2-ene
CID 143323028
N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 89110472
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile
CID 22336667
2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
CID 68583810
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane?
The IUPAC name of 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane (CID 90928180) is 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane.
What is the SMILES notation for 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane?
The canonical SMILES for 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane is CC.CC1C2C=CC(C2)C1C.
What is the InChIKey of 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane?
The InChIKey is UPQTYKMYNIKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C2H6/c1-6-7(2)9-4-3-8(6)5-9;1-2/h3-4,6-9H,5H2,1-2H3;1-2H3.
What are the key properties of 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane?
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane has a molecular weight of 152.28 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane is sourced from PubChem (CID 90928180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).