2-methyl-3-(2-methylsulfanylethoxy)but-2-ene

C8H16OS — CID 123852086

IUPAC2-methyl-3-(2-methylsulfanylethoxy)but-2-ene
SMILESCSCCOC(C)=C(C)C
InChIInChI=1S/C8H16OS/c1-7(2)8(3)9-5-6-10-4/h5-6H2,1-4H3
InChIKeyDKUNGDDLOQAEGV-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene

2-methyl-3-(2-methylsulfanylethoxy)but-2-ene (PubChem CID 123852086) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene.

Molecular Properties

Compound Name2-methyl-3-(2-methylsulfanylethoxy)but-2-ene
PubChem CID123852086
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-3-(2-methylsulfanylethoxy)but-2-ene
SMILESCSCCOC(C)=C(C)C
InChIInChI=1S/C8H16OS/c1-7(2)8(3)9-5-6-10-4/h5-6H2,1-4H3
InChIKeyDKUNGDDLOQAEGV-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-1-ethylsulfanyl-2-methylprop-1-ene
CID 134987605
(Z)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 59893339
(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 20622238
(E)-2-ethoxy-3-ethylsulfanylbut-2-ene
CID 21600410
(Z)-2-ethoxy-3-ethylsulfanylbut-2-ene
CID 21600411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene?
The IUPAC name of 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene (CID 123852086) is 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene.
What is the SMILES notation for 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene?
The canonical SMILES for 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene is CSCCOC(C)=C(C)C.
What is the InChIKey of 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene?
The InChIKey is DKUNGDDLOQAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)8(3)9-5-6-10-4/h5-6H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene?
2-methyl-3-(2-methylsulfanylethoxy)but-2-ene has a molecular weight of 160.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylsulfanylethoxy)but-2-ene is sourced from PubChem (CID 123852086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).