4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol

C17H26O2 — CID 21361816

IUPAC4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol
SMILESCOCCCC(O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2/c1-19-6-2-3-15(18)13-8-12-9-14(13)17-11-5-4-10(7-11)16(12)17/h4-5,10-18H,2-3,6-9H2,1H3
InChIKeyMQZLEFMXKBXAJJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.87
Rot. Bonds5

About 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol

4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol (PubChem CID 21361816) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol
PubChem CID21361816
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol
SMILESCOCCCC(O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2/c1-19-6-2-3-15(18)13-8-12-9-14(13)17-11-5-4-10(7-11)16(12)17/h4-5,10-18H,2-3,6-9H2,1H3
InChIKeyMQZLEFMXKBXAJJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol (CID 21361816) is 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol is COCCCC(O)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol?
The InChIKey is MQZLEFMXKBXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-19-6-2-3-15(18)13-8-12-9-14(13)17-11-5-4-10(7-11)16(12)17/h4-5,10-18H,2-3,6-9H2,1H3.
What are the key properties of 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol?
4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)butan-1-ol is sourced from PubChem (CID 21361816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).