(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

C32H60 — CID 158302871

IUPAC(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
SMILESC/C1=C(\C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C1(C)C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C32H60/c1-21-22(2)31(19)27(11,12)24(5,6)25(7,8)29(15,16)32(20,23(21,3)4)30(17,18)26(9,10)28(31,13)14/h1-20H3/b22-21-
InChIKeyAXXMVDRRWJXDTR-DQRAZIAOSA-N
MW444.83 g/mol
LogP10.57
Rot. Bonds

About (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

(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 (PubChem CID 158302871) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158302871
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Name(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
SMILESC/C1=C(\C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C1(C)C)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C32H60/c1-21-22(2)31(19)27(11,12)24(5,6)25(7,8)29(15,16)32(20,23(21,3)4)30(17,18)26(9,10)28(31,13)14/h1-20H3/b22-21-
InChIKeyAXXMVDRRWJXDTR-DQRAZIAOSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (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 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
1,2,2,3,3,4,4,5,5,6,7,8-dodecamethylbicyclo[4.2.0]oct-7-ene
CID 58944323
1,2,3,4,4,5,5,6,7,7,8,8-dodecamethylbicyclo[4.1.1]oct-2-ene
CID 58307828
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
1,2,3,4,4,5,6,6,7,8,9,9-dodecamethylbicyclo[3.3.1]nona-2,7-diene
CID 59660448
1,1,2,3,3a,4,5,6,6,6a-decamethylpentalene
CID 58944182
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
1,3,4,4,5,6,7,8,9,10,11,11-dodecamethyltricyclo[5.4.0.03,10]undeca-5,8-diene
CID 58944204
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane
CID 123205214
1,2,3,4,4,5,5,6,7,8,9,10,10,11,11,12,12,13,14,14,15,15-docosamethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 58944237
2,2,3,4,5,5-hexamethylthiophene
CID 58150626

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C1=C(\C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C1(C)C)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of (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?
The InChIKey is AXXMVDRRWJXDTR-DQRAZIAOSA-N. The full InChI is InChI=1S/C32H60/c1-21-22(2)31(19)27(11,12)24(5,6)25(7,8)29(15,16)32(20,23(21,3)4)30(17,18)26(9,10)28(31,13)14/h1-20H3/b22-21-.
What are the key properties of (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?
(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 has a molecular weight of 444.83 g/mol, XLogP of 10.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158302871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).