2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane

C9H18OS — CID 139682297

IUPAC2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane
SMILESCCOC=CCSC(C)(C)C
InChIInChI=1S/C9H18OS/c1-5-10-7-6-8-11-9(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyUATPUPCVQFYSLC-UHFFFAOYSA-N
MW174.31 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane

2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane (PubChem CID 139682297) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane
PubChem CID139682297
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane
SMILESCCOC=CCSC(C)(C)C
InChIInChI=1S/C9H18OS/c1-5-10-7-6-8-11-9(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyUATPUPCVQFYSLC-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 53.07
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

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1-(2-Ethylsulfanylethoxy)penta-1,4-diene;rutherfordium
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1-[(Z)-3-methylsulfanylprop-1-enoxy]pentane
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1-(3-Methylsulfanylprop-1-enoxy)pentane
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2-(2-Propoxyethylsulfanyl)buta-1,3-diene
CID 89189946
O-(3-propylsulfanylprop-1-enyl) ethanethioate
CID 91206860
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
ethane;4H-1,3-oxathiine
CID 142173991
3,5-dihydro-2H-1,4-oxathiepine
CID 142668007

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane (CID 139682297) is 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane is CCOC=CCSC(C)(C)C.
What is the InChIKey of 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane?
The InChIKey is UATPUPCVQFYSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-5-10-7-6-8-11-9(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane?
2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane has a molecular weight of 174.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyprop-2-enylsulfanyl)-2-methylpropane is sourced from PubChem (CID 139682297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).