heptadeca-12,16-dienoic acid

C17H30O2 — CID 91393607

IUPACheptadeca-12,16-dienoic acid
SMILESC=CCCC=CCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19)
InChIKeyDJPJIMVUISFALP-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.49
Rot. Bonds14

About heptadeca-12,16-dienoic acid

heptadeca-12,16-dienoic acid (PubChem CID 91393607) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is heptadeca-12,16-dienoic acid.

Molecular Properties

Compound Nameheptadeca-12,16-dienoic acid
PubChem CID91393607
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameheptadeca-12,16-dienoic acid
SMILESC=CCCC=CCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19)
InChIKeyDJPJIMVUISFALP-UHFFFAOYSA-N
XLogP5.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.49
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

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
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(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
trideca-9,12-dienoic acid
CID 140680246
(Z)-dodec-5-enedioic acid
CID 86751837
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
(E)-pentadec-4-enedioic acid
CID 156873655

Frequently Asked Questions

What is the IUPAC name of heptadeca-12,16-dienoic acid?
The IUPAC name of heptadeca-12,16-dienoic acid (CID 91393607) is heptadeca-12,16-dienoic acid.
What is the SMILES notation for heptadeca-12,16-dienoic acid?
The canonical SMILES for heptadeca-12,16-dienoic acid is C=CCCC=CCCCCCCCCCCC(=O)O.
What is the InChIKey of heptadeca-12,16-dienoic acid?
The InChIKey is DJPJIMVUISFALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19).
What are the key properties of heptadeca-12,16-dienoic acid?
heptadeca-12,16-dienoic acid has a molecular weight of 266.42 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-12,16-dienoic acid is sourced from PubChem (CID 91393607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).