(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene

C15H24 — CID 90471377

IUPAC(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene
SMILESCC1(C)CC[C@@]23CCC[C@@](C)(CC=C12)C3
InChIInChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h5H,4,6-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyGDJDQWCKZCNFNB-LSDHHAIUSA-N
MW204.36 g/mol
LogP4.70
Rot. Bonds

About (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene

(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene (PubChem CID 90471377) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene.

Molecular Properties

Compound Name(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene
PubChem CID90471377
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene
SMILESCC1(C)CC[C@@]23CCC[C@@](C)(CC=C12)C3
InChIInChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h5H,4,6-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyGDJDQWCKZCNFNB-LSDHHAIUSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene?
The IUPAC name of (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene (CID 90471377) is (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene.
What is the SMILES notation for (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene?
The canonical SMILES for (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene is CC1(C)CC[C@@]23CCC[C@@](C)(CC=C12)C3.
What is the InChIKey of (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene?
The InChIKey is GDJDQWCKZCNFNB-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h5H,4,6-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene?
(1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene has a molecular weight of 204.36 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene is sourced from PubChem (CID 90471377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).