9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C14H20 — CID 19434716

IUPAC9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H20/c1-14(2)7-10-6-11(14)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3
InChIKeyCPFKIJNCXOKSOR-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.49
Rot. Bonds

About 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 19434716) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID19434716
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H20/c1-14(2)7-10-6-11(14)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3
InChIKeyCPFKIJNCXOKSOR-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 570529
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CID 11084199
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CID 15558667
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CID 10997345
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CID 53738200
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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 19434716) is 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is CC1(C)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is CPFKIJNCXOKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-14(2)7-10-6-11(14)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3.
What are the key properties of 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 188.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 19434716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).