(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol

C13H22OS — CID 14709892

IUPAC(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol
SMILESC=C(C(SC)=C(C)C)C(O)/C=C/CCC
InChIInChI=1S/C13H22OS/c1-6-7-8-9-12(14)11(4)13(15-5)10(2)3/h8-9,12,14H,4,6-7H2,1-3,5H3/b9-8+
InChIKeyLYIKVUJSDKDDHJ-CMDGGOBGSA-N
MW226.38 g/mol
LogP3.92
Rot. Bonds6

About (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol

(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol (PubChem CID 14709892) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol.

Molecular Properties

Compound Name(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol
PubChem CID14709892
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol
SMILESC=C(C(SC)=C(C)C)C(O)/C=C/CCC
InChIInChI=1S/C13H22OS/c1-6-7-8-9-12(14)11(4)13(15-5)10(2)3/h8-9,12,14H,4,6-7H2,1-3,5H3/b9-8+
InChIKeyLYIKVUJSDKDDHJ-CMDGGOBGSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylsulfanyl-1-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethanol
CID 170077786
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
(1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 10702344
(4E)-4-ethenyl-2-methyl-2-(thiolan-1-ium-1-yl)hepta-4,6-dien-3-ol
CID 58205897
2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
5,6-Dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
CID 70483330
(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
CID 88958553
(3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-ol
CID 89151515
(2S,3E,4Z)-5-methyl-3-propylidenehepta-4,6-dien-2-ol
CID 89321352
(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol
CID 89335245

Frequently Asked Questions

What is the IUPAC name of (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol?
The IUPAC name of (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol (CID 14709892) is (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol.
What is the SMILES notation for (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol?
The canonical SMILES for (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol is C=C(C(SC)=C(C)C)C(O)/C=C/CCC.
What is the InChIKey of (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol?
The InChIKey is LYIKVUJSDKDDHJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H22OS/c1-6-7-8-9-12(14)11(4)13(15-5)10(2)3/h8-9,12,14H,4,6-7H2,1-3,5H3/b9-8+.
What are the key properties of (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol?
(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol has a molecular weight of 226.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol is sourced from PubChem (CID 14709892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).