[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol

C14H20O2 — CID 59748070

IUPAC[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol
SMILESOCC1C(CO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H20O2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-16H,3-6H2
InChIKeyYPCVUFQZWJRYMS-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.29
Rot. Bonds2

About [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol

[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol (PubChem CID 59748070) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol
PubChem CID59748070
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol
SMILESOCC1C(CO)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H20O2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-16H,3-6H2
InChIKeyYPCVUFQZWJRYMS-UHFFFAOYSA-N
XLogP1.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.29
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 [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol?
The IUPAC name of [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol (CID 59748070) is [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol is OCC1C(CO)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol?
The InChIKey is YPCVUFQZWJRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-5-11-9-4-10(12(11)6-16)14-8-2-1-7(3-8)13(9)14/h1-2,7-16H,3-6H2.
What are the key properties of [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol?
[5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol has a molecular weight of 220.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]methanol is sourced from PubChem (CID 59748070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).