1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene

C23H38 — CID 58944204

IUPAC1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
SMILESCC1=C(C)C2(C)C(C)=C(C)C3(C)C(C)(C)C2(C)CC3(C)C1(C)C
InChIInChI=1S/C23H38/c1-14-15(2)22(11)16(3)17(4)23(12)19(7,8)21(22,10)13-20(23,9)18(14,5)6/h13H2,1-12H3
InChIKeyAOUMSZNZDUVEHV-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.17
Rot. Bonds

About 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene

1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene (PubChem CID 58944204) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene.

Molecular Properties

Compound Name1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
PubChem CID58944204
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
SMILESCC1=C(C)C2(C)C(C)=C(C)C3(C)C(C)(C)C2(C)CC3(C)C1(C)C
InChIInChI=1S/C23H38/c1-14-15(2)22(11)16(3)17(4)23(12)19(7,8)21(22,10)13-20(23,9)18(14,5)6/h13H2,1-12H3
InChIKeyAOUMSZNZDUVEHV-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.17
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

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CID 58944228
1,2,3,4,4,5,6,6,7,8,9,9-dodecamethylbicyclo[3.3.1]nona-2,7-diene
CID 59660448
1,1,2,3,3a,4,5,6,6,6a-decamethylpentalene
CID 58944182
1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
CID 58307828
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
(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
1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
CID 71382568
1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331
(1S,8S)-1,8,10,10,11,12-hexamethyltricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-9-one
CID 98141635
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
3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane
CID 22947959

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene?
The IUPAC name of 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene (CID 58944204) is 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene.
What is the SMILES notation for 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene?
The canonical SMILES for 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene is CC1=C(C)C2(C)C(C)=C(C)C3(C)C(C)(C)C2(C)CC3(C)C1(C)C.
What is the InChIKey of 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene?
The InChIKey is AOUMSZNZDUVEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-14-15(2)22(11)16(3)17(4)23(12)19(7,8)21(22,10)13-20(23,9)18(14,5)6/h13H2,1-12H3.
What are the key properties of 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene?
1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene has a molecular weight of 314.56 g/mol, XLogP of 7.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene is sourced from PubChem (CID 58944204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).