2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane

C12H26O2S — CID 58408753

IUPAC2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCOCCSC(C)(C)C
InChIInChI=1S/C12H26O2S/c1-11(2,3)14-8-7-13-9-10-15-12(4,5)6/h7-10H2,1-6H3
InChIKeyMMMHOLAKASVTRQ-UHFFFAOYSA-N
MW234.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane

2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane (PubChem CID 58408753) has the molecular formula C12H26O2S and a molecular weight of 234.40 g/mol. Its IUPAC name is 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane
PubChem CID58408753
Molecular FormulaC12H26O2S
Molecular Weight234.40 g/mol
Exact Mass234.17
IUPAC Name2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCOCCSC(C)(C)C
InChIInChI=1S/C12H26O2S/c1-11(2,3)14-8-7-13-9-10-15-12(4,5)6/h7-10H2,1-6H3
InChIKeyMMMHOLAKASVTRQ-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyraldehyde di-t-butyl thioacetal
CID 129804305
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]butane
CID 139212637
8-Methyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932813
2-(2-Tert-butylsulfanylethoxy)-2-methylpropane
CID 57887445
2-(Ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 59082517
2-Propylsulfanyl-1,4,7,10-tetraoxacyclododecane
CID 60060815
2-[2-[(2-Methylpropan-2-yl)oxy]ethoxy]ethanethiol
CID 80026995
1-[2-[2-(2-Butylsulfanylethoxy)ethoxy]ethylsulfanyl]butane
CID 86059733
1-[2-(2-Ethylsulfanylethoxy)ethoxy]-2-methoxyethane
CID 87183000
1-[2-[2-(2-Propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane
CID 87946724
Diethyl-ethylidyne-[2-(2-methoxyethoxy)ethyl]-lambda6-sulfane
CID 88587253
S-[2-[(2-methylpropan-2-yl)oxy]ethyl] ethanethioate
CID 88981279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane?
The IUPAC name of 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane (CID 58408753) is 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane is CC(C)(C)OCCOCCSC(C)(C)C.
What is the InChIKey of 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane?
The InChIKey is MMMHOLAKASVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S/c1-11(2,3)14-8-7-13-9-10-15-12(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane?
2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane has a molecular weight of 234.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butylsulfanylethoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 58408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).