(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid

C17H30O2S — CID 163386050

IUPAC(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid
SMILESO=C(O)CCCC/C=C\CCC/C=C\CCCCCS
InChIInChI=1S/C17H30O2S/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20/h4-7,20H,1-3,8-16H2,(H,18,19)/b6-4-,7-5-
InChIKeyVIOMISOHAXKZQY-PEPZGXQESA-N
MW298.49 g/mol
LogP5.40
Rot. Bonds14

About (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid

(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid (PubChem CID 163386050) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid.

Molecular Properties

Compound Name(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid
PubChem CID163386050
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid
SMILESO=C(O)CCCC/C=C\CCC/C=C\CCCCCS
InChIInChI=1S/C17H30O2S/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20/h4-7,20H,1-3,8-16H2,(H,18,19)/b6-4-,7-5-
InChIKeyVIOMISOHAXKZQY-PEPZGXQESA-N
XLogP5.40
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(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
(Z)-dodec-5-enedioic acid
CID 86751837
33-sulfanyltritriacontanoic acid
CID 87682826
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
CID 126646561
CID 126646561
(E)-14-oxotetradec-9-enoic acid
CID 118354621
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
15-hydroxypentadec-10-enoic acid
CID 165358734

Frequently Asked Questions

What is the IUPAC name of (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid?
The IUPAC name of (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid (CID 163386050) is (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid.
What is the SMILES notation for (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid?
The canonical SMILES for (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid is O=C(O)CCCC/C=C\CCC/C=C\CCCCCS.
What is the InChIKey of (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid?
The InChIKey is VIOMISOHAXKZQY-PEPZGXQESA-N. The full InChI is InChI=1S/C17H30O2S/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20/h4-7,20H,1-3,8-16H2,(H,18,19)/b6-4-,7-5-.
What are the key properties of (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid?
(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid has a molecular weight of 298.49 g/mol, XLogP of 5.40, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid is sourced from PubChem (CID 163386050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).