(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol

C8H14OS — CID 5368118

IUPAC(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
SMILESC=CC(C)(O)C/C=C/SC
InChIInChI=1S/C8H14OS/c1-4-8(2,9)6-5-7-10-3/h4-5,7,9H,1,6H2,2-3H3/b7-5+
InChIKeyJIJXHAPWXHUJMJ-FNORWQNLSA-N
MW158.27 g/mol
LogP2.19
Rot. Bonds4

About (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol

(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol (PubChem CID 5368118) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
PubChem CID5368118
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol
SMILESC=CC(C)(O)C/C=C/SC
InChIInChI=1S/C8H14OS/c1-4-8(2,9)6-5-7-10-3/h4-5,7,9H,1,6H2,2-3H3/b7-5+
InChIKeyJIJXHAPWXHUJMJ-FNORWQNLSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
CID 163086430
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
2-methyl-1-methylsulfanylbut-3-en-2-ol
CID 119098384
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
1-methylsulfanylbut-1-ene
CID 519416
(5E,7E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
CID 162958275
1-bromo-2-methylbut-3-en-2-ol
CID 551234
(1E)-1-methylsulfanylhexa-1,5-diene
CID 101001701
2,6,10,14-tetramethylhexadeca-2,6,11,15-tetraene-1,10,14-triol
CID 163127323
2-methyl-1-methylsulfanylpent-4-en-2-ol
CID 13218065
(3S)-3-hydroxy-3-methylpent-4-enenitrile
CID 11491924
3-hydroxy-3-methylpent-4-enenitrile
CID 12522362

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol?
The IUPAC name of (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol (CID 5368118) is (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol.
What is the SMILES notation for (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol?
The canonical SMILES for (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol is C=CC(C)(O)C/C=C/SC.
What is the InChIKey of (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol?
The InChIKey is JIJXHAPWXHUJMJ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-8(2,9)6-5-7-10-3/h4-5,7,9H,1,6H2,2-3H3/b7-5+.
What are the key properties of (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol?
(5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol has a molecular weight of 158.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-6-methylsulfanylhexa-1,5-dien-3-ol is sourced from PubChem (CID 5368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).