5-methyl-1-methylsulfanylhex-4-ene-2,3-diol

C8H16O2S — CID 143639829

IUPAC5-methyl-1-methylsulfanylhex-4-ene-2,3-diol
SMILESCSCC(O)C(O)C=C(C)C
InChIInChI=1S/C8H16O2S/c1-6(2)4-7(9)8(10)5-11-3/h4,7-10H,5H2,1-3H3
InChIKeyZIJXXXDHNVNSTJ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.04
Rot. Bonds4

About 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol

5-methyl-1-methylsulfanylhex-4-ene-2,3-diol (PubChem CID 143639829) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol.

Molecular Properties

Compound Name5-methyl-1-methylsulfanylhex-4-ene-2,3-diol
PubChem CID143639829
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name5-methyl-1-methylsulfanylhex-4-ene-2,3-diol
SMILESCSCC(O)C(O)C=C(C)C
InChIInChI=1S/C8H16O2S/c1-6(2)4-7(9)8(10)5-11-3/h4,7-10H,5H2,1-3H3
InChIKeyZIJXXXDHNVNSTJ-UHFFFAOYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropane-1,2-diol
CID 71498429
cis-1,2-Dihydroxy-3-methyl-6-methylthiocyclohexa-3,5-diene
CID 11182901
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
Propylidene-2,3-dihydroxy-1,4-bis(methyl sulfinyl)butane monohydrate
CID 129777797
(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol
CID 135038959
(1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 10702344
3-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)propane-1,2-diol
CID 77995044
2-Methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol
CID 91006915
(Z)-3-(methylsulfanylmethyl)pent-3-en-2-ol
CID 141892180
(1S,2R)-3-[(trimethyl-lambda4-sulfanyl)methyl]cyclohexa-3,5-diene-1,2-diol
CID 142838400
ethane;(Z,3E)-3-ethylidene-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]sulfanylhept-4-ene-1,2-diol;methane
CID 144565321

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol?
The IUPAC name of 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol (CID 143639829) is 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol.
What is the SMILES notation for 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol?
The canonical SMILES for 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol is CSCC(O)C(O)C=C(C)C.
What is the InChIKey of 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol?
The InChIKey is ZIJXXXDHNVNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6(2)4-7(9)8(10)5-11-3/h4,7-10H,5H2,1-3H3.
What are the key properties of 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol?
5-methyl-1-methylsulfanylhex-4-ene-2,3-diol has a molecular weight of 176.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfanylhex-4-ene-2,3-diol is sourced from PubChem (CID 143639829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).