2-(2-ethenoxyethylsulfanyl)-2-methylpropane

C8H16OS — CID 163203730

IUPAC2-(2-ethenoxyethylsulfanyl)-2-methylpropane
SMILESC=COCCSC(C)(C)C
InChIInChI=1S/C8H16OS/c1-5-9-6-7-10-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyHTDRLSMUHWGEFO-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-ethenoxyethylsulfanyl)-2-methylpropane

2-(2-ethenoxyethylsulfanyl)-2-methylpropane (PubChem CID 163203730) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(2-ethenoxyethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2-ethenoxyethylsulfanyl)-2-methylpropane
PubChem CID163203730
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(2-ethenoxyethylsulfanyl)-2-methylpropane
SMILESC=COCCSC(C)(C)C
InChIInChI=1S/C8H16OS/c1-5-9-6-7-10-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyHTDRLSMUHWGEFO-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

Ether, 2-(ethylthio)ethyl vinyl
CID 29044
2-(Butylthio)ethyl vinyl ether
CID 23089
Butoxyethylthioethylvinyl ether
CID 129807900
2,2-Bis(butylthio)propyl vinyl ether
CID 129808499
1-(3-Ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
1,3-Bis(2-ethenoxyethylsulfanyl)-2-methylpropane
CID 101466810
2-(2-Methoxyethenylsulfanyl)-2-methylpropane
CID 123817305
2-(1-Methoxypropan-2-ylsulfanyl)-2-methylpropane
CID 130644428
2-(3-Ethoxyprop-2-enylsulfanyl)-2-methylpropane
CID 139682297
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
Ethane;1-ethoxy-1-ethylsulfanylethene
CID 142074089
1-[(2-Ethoxyethenyl)thio]butane
CID 154171584

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(2-ethenoxyethylsulfanyl)-2-methylpropane (CID 163203730) is 2-(2-ethenoxyethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(2-ethenoxyethylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(2-ethenoxyethylsulfanyl)-2-methylpropane is C=COCCSC(C)(C)C.
What is the InChIKey of 2-(2-ethenoxyethylsulfanyl)-2-methylpropane?
The InChIKey is HTDRLSMUHWGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-5-9-6-7-10-8(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-ethenoxyethylsulfanyl)-2-methylpropane?
2-(2-ethenoxyethylsulfanyl)-2-methylpropane 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-(2-ethenoxyethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 163203730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).