(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol

C11H16OS — CID 154983033

IUPAC(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol
SMILESC=C/C=C(\C=C/C(=C)O)CCCS
InChIInChI=1S/C11H16OS/c1-3-5-11(6-4-9-13)8-7-10(2)12/h3,5,7-8,12-13H,1-2,4,6,9H2/b8-7-,11-5-
InChIKeyJQRHYRGUDODHQI-RNNYEWFJSA-N
MW196.31 g/mol
LogP3.44
Rot. Bonds6

About (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol

(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol (PubChem CID 154983033) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol
PubChem CID154983033
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol
SMILESC=C/C=C(\C=C/C(=C)O)CCCS
InChIInChI=1S/C11H16OS/c1-3-5-11(6-4-9-13)8-7-10(2)12/h3,5,7-8,12-13H,1-2,4,6,9H2/b8-7-,11-5-
InChIKeyJQRHYRGUDODHQI-RNNYEWFJSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol?
The IUPAC name of (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol (CID 154983033) is (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol.
What is the SMILES notation for (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol?
The canonical SMILES for (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol is C=C/C=C(\C=C/C(=C)O)CCCS.
What is the InChIKey of (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol?
The InChIKey is JQRHYRGUDODHQI-RNNYEWFJSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-5-11(6-4-9-13)8-7-10(2)12/h3,5,7-8,12-13H,1-2,4,6,9H2/b8-7-,11-5-.
What are the key properties of (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol?
(3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol has a molecular weight of 196.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-(3-sulfanylpropyl)octa-1,3,5,7-tetraen-2-ol is sourced from PubChem (CID 154983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).