(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol

C11H16OS — CID 144804148

IUPAC(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol
SMILESC=C(C)C(=C)/C=C(/SC)C(=C)CO
InChIInChI=1S/C11H16OS/c1-8(2)9(3)6-11(13-5)10(4)7-12/h6,12H,1,3-4,7H2,2,5H3/b11-6+
InChIKeyOQDSCRPIHXNPIM-IZZDOVSWSA-N
MW196.31 g/mol
LogP2.91
Rot. Bonds5

About (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol

(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol (PubChem CID 144804148) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol
PubChem CID144804148
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol
SMILESC=C(C)C(=C)/C=C(/SC)C(=C)CO
InChIInChI=1S/C11H16OS/c1-8(2)9(3)6-11(13-5)10(4)7-12/h6,12H,1,3-4,7H2,2,5H3/b11-6+
InChIKeyOQDSCRPIHXNPIM-IZZDOVSWSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2,6-dimethyl-5-methylsulfanylhepta-4,6-dien-3-one
CID 101185151
(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol
CID 144980618
(3E)-3,6-dimethyl-5-methylidenehepta-3,6-dien-2-one
CID 143344295
(3Z)-2,6,6-trimethyl-5-methylidene-4-methylsulfanylhepta-1,3-diene
CID 166738781
(3E)-3-chloro-6-methyl-5-methylidenehepta-1,3,6-triene
CID 142076420
2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide
CID 18690297
(1Z,3E)-N-methyl-3-methylsulfanyl-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 163392986
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
2-methylprop-2-en-1-ol;zirconium
CID 88651592
(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
CID 143383124

Frequently Asked Questions

What is the IUPAC name of (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol?
The IUPAC name of (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol (CID 144804148) is (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol.
What is the SMILES notation for (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol?
The canonical SMILES for (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol is C=C(C)C(=C)/C=C(/SC)C(=C)CO.
What is the InChIKey of (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol?
The InChIKey is OQDSCRPIHXNPIM-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H16OS/c1-8(2)9(3)6-11(13-5)10(4)7-12/h6,12H,1,3-4,7H2,2,5H3/b11-6+.
What are the key properties of (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol?
(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol is sourced from PubChem (CID 144804148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).