2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene

C12H20 — CID 57030303

IUPAC2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene
SMILESCC1=C2C(CC(C)C2(C)C)C1C
InChIInChI=1S/C12H20/c1-7-6-10-8(2)9(3)11(10)12(7,4)5/h7-8,10H,6H2,1-5H3
InChIKeyCYYMBWOQRUQAMO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds

About 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene

2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene (PubChem CID 57030303) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene.

Molecular Properties

Compound Name2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene
PubChem CID57030303
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene
SMILESCC1=C2C(CC(C)C2(C)C)C1C
InChIInChI=1S/C12H20/c1-7-6-10-8(2)9(3)11(10)12(7,4)5/h7-8,10H,6H2,1-5H3
InChIKeyCYYMBWOQRUQAMO-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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

1,2,3,4,4,5-hexamethyl-1,5,6,7-tetrahydroindene
CID 173224231
2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene
CID 142697748
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
3,3,4-trimethyl-2-oxocyclopentane-1-carbaldehyde
CID 130025531
2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
CID 166025871
7,8-dimethylbicyclo[4.2.0]oct-1(6)-ene
CID 71341111
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
CID 175769076
CID 175769076
hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
CID 175743321
5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene
CID 90761066

Frequently Asked Questions

What is the IUPAC name of 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene?
The IUPAC name of 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene (CID 57030303) is 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene.
What is the SMILES notation for 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene?
The canonical SMILES for 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene is CC1=C2C(CC(C)C2(C)C)C1C.
What is the InChIKey of 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene?
The InChIKey is CYYMBWOQRUQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7-6-10-8(2)9(3)11(10)12(7,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene?
2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene has a molecular weight of 164.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6,7-pentamethylbicyclo[3.2.0]hept-1(7)-ene is sourced from PubChem (CID 57030303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).