3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol

C10H22O2S — CID 103706149

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCCOC(C)(C)C
InChIInChI=1S/C10H22O2S/c1-8(11)9(2)13-7-6-12-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeySFIQCLPKTKUYAB-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.30
Rot. Bonds5

About 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol

3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol (PubChem CID 103706149) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol
PubChem CID103706149
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCCOC(C)(C)C
InChIInChI=1S/C10H22O2S/c1-8(11)9(2)13-7-6-12-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeySFIQCLPKTKUYAB-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol (CID 103706149) is 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol is CC(O)C(C)SCCOC(C)(C)C.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol?
The InChIKey is SFIQCLPKTKUYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-8(11)9(2)13-7-6-12-10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol?
3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol has a molecular weight of 206.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol is sourced from PubChem (CID 103706149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).