heptadeca-1,5,6-trien-4-ol

C17H30O — CID 25179794

IUPACheptadeca-1,5,6-trien-4-ol
SMILESC=CCC(O)C=C=CCCCCCCCCCC
InChIInChI=1S/C17H30O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h4,13,16-18H,2-3,5-12,15H2,1H3
InChIKeyCQQYHSVWEDKKKC-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.17
Rot. Bonds12

About heptadeca-1,5,6-trien-4-ol

heptadeca-1,5,6-trien-4-ol (PubChem CID 25179794) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is heptadeca-1,5,6-trien-4-ol.

Molecular Properties

Compound Nameheptadeca-1,5,6-trien-4-ol
PubChem CID25179794
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameheptadeca-1,5,6-trien-4-ol
SMILESC=CCC(O)C=C=CCCCCCCCCCC
InChIInChI=1S/C17H30O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h4,13,16-18H,2-3,5-12,15H2,1H3
InChIKeyCQQYHSVWEDKKKC-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.17
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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Related Compounds

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octadeca-5,6-diene
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CID 91492112
(4R)-dodec-1-en-4-ol
CID 11074077
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
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Frequently Asked Questions

What is the IUPAC name of heptadeca-1,5,6-trien-4-ol?
The IUPAC name of heptadeca-1,5,6-trien-4-ol (CID 25179794) is heptadeca-1,5,6-trien-4-ol.
What is the SMILES notation for heptadeca-1,5,6-trien-4-ol?
The canonical SMILES for heptadeca-1,5,6-trien-4-ol is C=CCC(O)C=C=CCCCCCCCCCC.
What is the InChIKey of heptadeca-1,5,6-trien-4-ol?
The InChIKey is CQQYHSVWEDKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h4,13,16-18H,2-3,5-12,15H2,1H3.
What are the key properties of heptadeca-1,5,6-trien-4-ol?
heptadeca-1,5,6-trien-4-ol has a molecular weight of 250.43 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,5,6-trien-4-ol is sourced from PubChem (CID 25179794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).