(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol

C15H24OS — CID 129237755

IUPAC(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol
SMILESC=C/C(=C\C=C(\C)C(C)C)CC(SC)C(=C)O
InChIInChI=1S/C15H24OS/c1-7-14(9-8-12(4)11(2)3)10-15(17-6)13(5)16/h7-9,11,15-16H,1,5,10H2,2-4,6H3/b12-8-,14-9+
InChIKeyPOPTXAIEOSOEDL-WNEGCBGQSA-N
MW252.42 g/mol
LogP4.89
Rot. Bonds7

About (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol

(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol (PubChem CID 129237755) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol.

Molecular Properties

Compound Name(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol
PubChem CID129237755
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol
SMILESC=C/C(=C\C=C(\C)C(C)C)CC(SC)C(=C)O
InChIInChI=1S/C15H24OS/c1-7-14(9-8-12(4)11(2)3)10-15(17-6)13(5)16/h7-9,11,15-16H,1,5,10H2,2-4,6H3/b12-8-,14-9+
InChIKeyPOPTXAIEOSOEDL-WNEGCBGQSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol?
The IUPAC name of (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol (CID 129237755) is (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol.
What is the SMILES notation for (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol?
The canonical SMILES for (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol is C=C/C(=C\C=C(\C)C(C)C)CC(SC)C(=C)O.
What is the InChIKey of (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol?
The InChIKey is POPTXAIEOSOEDL-WNEGCBGQSA-N. The full InChI is InChI=1S/C15H24OS/c1-7-14(9-8-12(4)11(2)3)10-15(17-6)13(5)16/h7-9,11,15-16H,1,5,10H2,2-4,6H3/b12-8-,14-9+.
What are the key properties of (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol?
(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol has a molecular weight of 252.42 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol is sourced from PubChem (CID 129237755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).