1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene

C20H36 — CID 58307828

IUPAC1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)(C(C)(C)C1(C)C)C2(C)C
InChIInChI=1S/C20H36/c1-13-14(2)19(11)17(7,8)20(12,18(19,9)10)16(5,6)15(13,3)4/h1-12H3
InChIKeyLBYYBFAVVNMJKA-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.47
Rot. Bonds

About 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene

1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene (PubChem CID 58307828) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene.

Molecular Properties

Compound Name1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
PubChem CID58307828
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
SMILESCC1=C(C)C2(C)C(C)(C)C(C)(C(C)(C)C1(C)C)C2(C)C
InChIInChI=1S/C20H36/c1-13-14(2)19(11)17(7,8)20(12,18(19,9)10)16(5,6)15(13,3)4/h1-12H3
InChIKeyLBYYBFAVVNMJKA-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 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene with MolForge

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Related Compounds

(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
1,2,3,4,4,5,6,7,8,8,9,9,10,10-tetradecamethylbicyclo[3.3.2]deca-2,6-diene
CID 58944228
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
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
CID 58944323
1,2,3,4,4,5,6,6,7,8,9,9-dodecamethylbicyclo[3.3.1]nona-2,7-diene
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1,1,2,3,3a,4,5,6,6,6a-decamethylpentalene
CID 58944182
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CID 58944204
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene?
The IUPAC name of 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene (CID 58307828) is 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene.
What is the SMILES notation for 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene?
The canonical SMILES for 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene is CC1=C(C)C2(C)C(C)(C)C(C)(C(C)(C)C1(C)C)C2(C)C.
What is the InChIKey of 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene?
The InChIKey is LBYYBFAVVNMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-13-14(2)19(11)17(7,8)20(12,18(19,9)10)16(5,6)15(13,3)4/h1-12H3.
What are the key properties of 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene?
1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-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 1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene is sourced from PubChem (CID 58307828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).