10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene

C32H56 — CID 90769995

IUPAC10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene
SMILESC=C(C)C(CC1CCCC=CCCC(C)C2(C)CC12)C(C)CC(C(C)CCC)C1CC1C
InChIInChI=1S/C32H56/c1-9-15-23(4)29(30-19-25(30)6)18-24(5)28(22(2)3)20-27-17-14-12-10-11-13-16-26(7)32(8)21-31(27)32/h10-11,23-31H,2,9,12-21H2,1,3-8H3
InChIKeyKZTHOWXSRJYJJR-UHFFFAOYSA-N
MW440.80 g/mol
LogP10.10
Rot. Bonds10

About 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene

10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene (PubChem CID 90769995) has the molecular formula C32H56 and a molecular weight of 440.80 g/mol. Its IUPAC name is 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene.

Molecular Properties

Compound Name10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene
PubChem CID90769995
Molecular FormulaC32H56
Molecular Weight440.80 g/mol
Exact Mass440.44
IUPAC Name10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene
SMILESC=C(C)C(CC1CCCC=CCCC(C)C2(C)CC12)C(C)CC(C(C)CCC)C1CC1C
InChIInChI=1S/C32H56/c1-9-15-23(4)29(30-19-25(30)6)18-24(5)28(22(2)3)20-27-17-14-12-10-11-13-16-26(7)32(8)21-31(27)32/h10-11,23-31H,2,9,12-21H2,1,3-8H3
InChIKeyKZTHOWXSRJYJJR-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene with MolForge

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Related Compounds

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3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
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CID 162843917
(3R,5Z,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,6,7,10,13,16,20,21-nonamethyl-17-methylidenedocosa-1,5,11,21-tetraene
CID 162847373
(3R,7R,10S,11E,13S,16R,20R)-10-ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-dimethylidenedocosa-1,11,21-triene
CID 162871879
(3R,5R,6R)-5-[(3S,4E,6S,9R,13R)-6-ethenyl-3,6,9,13,14-pentamethyl-10-methylidenepentadeca-4,14-dienyl]-1,3,4,4,6-pentamethylcyclohexene
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(3S,4S)-1-methyl-4-prop-1-en-2-yl-3-[(3S,7S,10E)-3,7,11,15-tetramethylhexadeca-1,10,14-trien-7-yl]cyclohexene
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Frequently Asked Questions

What is the IUPAC name of 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene?
The IUPAC name of 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene (CID 90769995) is 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene.
What is the SMILES notation for 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene?
The canonical SMILES for 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene is C=C(C)C(CC1CCCC=CCCC(C)C2(C)CC12)C(C)CC(C(C)CCC)C1CC1C.
What is the InChIKey of 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene?
The InChIKey is KZTHOWXSRJYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56/c1-9-15-23(4)29(30-19-25(30)6)18-24(5)28(22(2)3)20-27-17-14-12-10-11-13-16-26(7)32(8)21-31(27)32/h10-11,23-31H,2,9,12-21H2,1,3-8H3.
What are the key properties of 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene?
10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene has a molecular weight of 440.80 g/mol, XLogP of 10.10, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,6-dimethyl-5-(2-methylcyclopropyl)-2-prop-1-en-2-ylnonyl]-1,2-dimethylbicyclo[9.1.0]dodec-5-ene is sourced from PubChem (CID 90769995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).