1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene

C8H16OS — CID 134987605

IUPAC1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene
SMILESCCOC(SCC)=C(C)C
InChIInChI=1S/C8H16OS/c1-5-9-8(7(3)4)10-6-2/h5-6H2,1-4H3
InChIKeyCENLCMPPDYSMRI-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.03
Rot. Bonds4

About 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene

1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene (PubChem CID 134987605) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene.

Molecular Properties

Compound Name1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene
PubChem CID134987605
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene
SMILESCCOC(SCC)=C(C)C
InChIInChI=1S/C8H16OS/c1-5-9-8(7(3)4)10-6-2/h5-6H2,1-4H3
InChIKeyCENLCMPPDYSMRI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-ylidene-1,3-oxathiolane
CID 58322004
2-Methyl-3-(2-methylsulfanylethoxy)but-2-ene
CID 123852086
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane
CID 176603793

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene?
The IUPAC name of 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene (CID 134987605) is 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene.
What is the SMILES notation for 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene?
The canonical SMILES for 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene is CCOC(SCC)=C(C)C.
What is the InChIKey of 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene?
The InChIKey is CENLCMPPDYSMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-5-9-8(7(3)4)10-6-2/h5-6H2,1-4H3.
What are the key properties of 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene?
1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene has a molecular weight of 160.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-ethylsulfanyl-2-methylprop-1-ene is sourced from PubChem (CID 134987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).