(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene

C10H16S — CID 143383124

IUPAC(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
SMILESC=C(C)/C=C(/CSC)C(=C)C
InChIInChI=1S/C10H16S/c1-8(2)6-10(7-11-5)9(3)4/h6H,1,3,7H2,2,4-5H3/b10-6-
InChIKeyUKXKSAXYDNWQJL-POHAHGRESA-N
MW168.30 g/mol
LogP3.43
Rot. Bonds4

About (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene

(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene (PubChem CID 143383124) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
PubChem CID143383124
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
SMILESC=C(C)/C=C(/CSC)C(=C)C
InChIInChI=1S/C10H16S/c1-8(2)6-10(7-11-5)9(3)4/h6H,1,3,7H2,2,4-5H3/b10-6-
InChIKeyUKXKSAXYDNWQJL-POHAHGRESA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine
CID 170223795
S-methyl 2-methylsulfanylethanethioate
CID 12570610
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
CID 142529132
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405

Frequently Asked Questions

What is the IUPAC name of (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene?
The IUPAC name of (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene (CID 143383124) is (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene?
The canonical SMILES for (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene is C=C(C)/C=C(/CSC)C(=C)C.
What is the InChIKey of (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene?
The InChIKey is UKXKSAXYDNWQJL-POHAHGRESA-N. The full InChI is InChI=1S/C10H16S/c1-8(2)6-10(7-11-5)9(3)4/h6H,1,3,7H2,2,4-5H3/b10-6-.
What are the key properties of (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene?
(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene has a molecular weight of 168.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene is sourced from PubChem (CID 143383124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).