(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol

C12H18O2 — CID 134859585

IUPAC(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol
SMILESOC1CC23C=C[C@@H](O)CC2CC1CC3
InChIInChI=1S/C12H18O2/c13-10-2-4-12-3-1-8(11(14)7-12)5-9(12)6-10/h2,4,8-11,13-14H,1,3,5-7H2/t8?,9?,10-,11?,12?/m1/s1
InChIKeyYRAYIQWFJVGNFV-JWUQVZSFSA-N
MW194.27 g/mol
LogP1.47
Rot. Bonds

About (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol

(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol (PubChem CID 134859585) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol.

Molecular Properties

Compound Name(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol
PubChem CID134859585
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol
SMILESOC1CC23C=C[C@@H](O)CC2CC1CC3
InChIInChI=1S/C12H18O2/c13-10-2-4-12-3-1-8(11(14)7-12)5-9(12)6-10/h2,4,8-11,13-14H,1,3,5-7H2/t8?,9?,10-,11?,12?/m1/s1
InChIKeyYRAYIQWFJVGNFV-JWUQVZSFSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol?
The IUPAC name of (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol (CID 134859585) is (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol.
What is the SMILES notation for (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol?
The canonical SMILES for (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol is OC1CC23C=C[C@@H](O)CC2CC1CC3.
What is the InChIKey of (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol?
The InChIKey is YRAYIQWFJVGNFV-JWUQVZSFSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-2-4-12-3-1-8(11(14)7-12)5-9(12)6-10/h2,4,8-11,13-14H,1,3,5-7H2/t8?,9?,10-,11?,12?/m1/s1.
What are the key properties of (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol?
(4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol has a molecular weight of 194.27 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-tricyclo[6.2.2.01,6]dodec-2-ene-4,9-diol is sourced from PubChem (CID 134859585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).