2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol

C10H24O2S — CID 129233266

IUPAC2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol
SMILESCC(C)S(C)(C)CCCOCCO
InChIInChI=1S/C10H24O2S/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10-11H,5-9H2,1-4H3
InChIKeyKESVBQMKHCPZJJ-UHFFFAOYSA-N
MW208.37 g/mol
LogP1.86
Rot. Bonds7

About 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol

2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol (PubChem CID 129233266) has the molecular formula C10H24O2S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol
PubChem CID129233266
Molecular FormulaC10H24O2S
Molecular Weight208.37 g/mol
Exact Mass208.15
IUPAC Name2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol
SMILESCC(C)S(C)(C)CCCOCCO
InChIInChI=1S/C10H24O2S/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10-11H,5-9H2,1-4H3
InChIKeyKESVBQMKHCPZJJ-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
2-butoxyethanol
CID 8133
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
butan-2-ol;2-butoxyethanol
CID 118377400

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol?
The IUPAC name of 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol (CID 129233266) is 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol.
What is the SMILES notation for 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol?
The canonical SMILES for 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol is CC(C)S(C)(C)CCCOCCO.
What is the InChIKey of 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol?
The InChIKey is KESVBQMKHCPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O2S/c1-10(2)13(3,4)9-5-7-12-8-6-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol?
2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol has a molecular weight of 208.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol is sourced from PubChem (CID 129233266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).