3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol

C17H26O2 — CID 70892640

IUPAC3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol
SMILESOCCCC1C(CCO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2/c18-6-1-2-12-13(5-7-19)15-9-14(12)16-10-3-4-11(8-10)17(15)16/h3-4,10-19H,1-2,5-9H2
InChIKeyIKYKXUIYMDPPFF-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.46
Rot. Bonds5

About 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol

3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol (PubChem CID 70892640) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol
PubChem CID70892640
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol
SMILESOCCCC1C(CCO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2/c18-6-1-2-12-13(5-7-19)15-9-14(12)16-10-3-4-11(8-10)17(15)16/h3-4,10-19H,1-2,5-9H2
InChIKeyIKYKXUIYMDPPFF-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.46
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 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol?
The IUPAC name of 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol (CID 70892640) is 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol.
What is the SMILES notation for 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol?
The canonical SMILES for 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol is OCCCC1C(CCO)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol?
The InChIKey is IKYKXUIYMDPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c18-6-1-2-12-13(5-7-19)15-9-14(12)16-10-3-4-11(8-10)17(15)16/h3-4,10-19H,1-2,5-9H2.
What are the key properties of 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol?
3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxyethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propan-1-ol is sourced from PubChem (CID 70892640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).