1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene

C20H36 — CID 58944323

IUPAC1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C12C
InChIInChI=1S/C20H36/c1-13-14(2)20(12)18(9,10)16(5,6)15(3,4)17(7,8)19(13,20)11/h1-12H3
InChIKeyXFWNKEQYWUXTEP-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.47
Rot. Bonds

About 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene

1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene (PubChem CID 58944323) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
PubChem CID58944323
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C12C
InChIInChI=1S/C20H36/c1-13-14(2)20(12)18(9,10)16(5,6)15(3,4)17(7,8)19(13,20)11/h1-12H3
InChIKeyXFWNKEQYWUXTEP-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene with MolForge

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Related Compounds

1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene
CID 58944228
(7Z)-1,2,2,3,3,4,4,5,5,6,7,8,9,9,10,10,11,11,12,12-icosamethylbicyclo[4.3.3]dodec-7-ene
CID 158302871
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
CID 58307828
2,2,3,4,5,5-hexamethylthiophene
CID 58150626
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
1,2,3,4,4,5,6,6,7,7-decamethylbicyclo[3.2.0]hept-2-ene;1,2,3,4,5,5,6,6,7,7-decamethylbicyclo[2.2.1]hept-2-ene;1,2,2,3,3,4,4,5,6,6-decamethylbicyclo[3.1.0]hexane;1,2-dimethylcyclohex-1-en-3,5-diyne;1,2,2,3,3,4,4,5,6,6,7,7-dodecamethylbicyclo[3.2.0]heptane;1,2,2,3,3,4,5,5,6,6,7,7-dodecamethylbicyclo[2.2.1]heptane;1,2,3,4,5,5,6,6,7,7,8,8-dodecamethylbicyclo[2.2.2]oct-2-ene;1,2,3,4,4,5,6,6-octamethylbicyclo[3.1.0]hex-2-ene;1,2,2,3,3,4,5,5,6,6,7,7,8,8-tetradecamethylbicyclo[2.2.2]octane
CID 157252003
1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
CID 71382568
1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
CID 58944204
2,3,3-trimethylcyclopropen-1-amine
CID 153115766
1,2,3,4,4,5,6,6,7,8,9,9-dodecamethylbicyclo[3.3.1]nona-2,7-diene
CID 59660448
1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
CID 86052906

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene (CID 58944323) is 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene is CC1=C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C12C.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene?
The InChIKey is XFWNKEQYWUXTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-13-14(2)20(12)18(9,10)16(5,6)15(3,4)17(7,8)19(13,20)11/h1-12H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene?
1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene has a molecular weight of 276.51 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene is sourced from PubChem (CID 58944323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).