2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol

C16H24O2 — CID 70892638

IUPAC2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol
SMILESOCCC1C(CCO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H24O2/c17-5-3-11-12(4-6-18)14-8-13(11)15-9-1-2-10(7-9)16(14)15/h1-2,9-18H,3-8H2
InChIKeyLJQRILZVJUEOKV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.07
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol

2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol (PubChem CID 70892638) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol
PubChem CID70892638
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol
SMILESOCCC1C(CCO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H24O2/c17-5-3-11-12(4-6-18)14-8-13(11)15-9-1-2-10(7-9)16(14)15/h1-2,9-18H,3-8H2
InChIKeyLJQRILZVJUEOKV-UHFFFAOYSA-N
XLogP2.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol (CID 70892638) is 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol is OCCC1C(CCO)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol?
The InChIKey is LJQRILZVJUEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-5-3-11-12(4-6-18)14-8-13(11)15-9-1-2-10(7-9)16(14)15/h1-2,9-18H,3-8H2.
What are the key properties of 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol?
2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]ethanol is sourced from PubChem (CID 70892638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).