dodec-9-en-2-ol

C12H24O — CID 91540060

IUPACdodec-9-en-2-ol
SMILESCCC=CCCCCCCC(C)O
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyIKRWKRLFCXJBLI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.67
Rot. Bonds8

About dodec-9-en-2-ol

dodec-9-en-2-ol (PubChem CID 91540060) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is dodec-9-en-2-ol.

Molecular Properties

Compound Namedodec-9-en-2-ol
PubChem CID91540060
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namedodec-9-en-2-ol
SMILESCCC=CCCCCCCC(C)O
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyIKRWKRLFCXJBLI-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodec-9-en-2-ol?
The IUPAC name of dodec-9-en-2-ol (CID 91540060) is dodec-9-en-2-ol.
What is the SMILES notation for dodec-9-en-2-ol?
The canonical SMILES for dodec-9-en-2-ol is CCC=CCCCCCCC(C)O.
What is the InChIKey of dodec-9-en-2-ol?
The InChIKey is IKRWKRLFCXJBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h4-5,12-13H,3,6-11H2,1-2H3.
What are the key properties of dodec-9-en-2-ol?
dodec-9-en-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-en-2-ol is sourced from PubChem (CID 91540060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).