3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol

C9H20O2S — CID 91250922

IUPAC3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
SMILESCC(C)CSCCOCCCO
InChIInChI=1S/C9H20O2S/c1-9(2)8-12-7-6-11-5-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeySJYPMNMNEFYGOL-UHFFFAOYSA-N
MW192.32 g/mol
LogP1.77
Rot. Bonds8

About 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol

3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol (PubChem CID 91250922) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
PubChem CID91250922
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
SMILESCC(C)CSCCOCCCO
InChIInChI=1S/C9H20O2S/c1-9(2)8-12-7-6-11-5-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeySJYPMNMNEFYGOL-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 51.77
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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Related Compounds

1-(2-ethoxyethylsulfanyl)-2-methylpropane
CID 88911934
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
CID 106454957
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
CID 103180189
3-[2-[5-(3-sulfanylpropylsulfanyl)pentoxy]ethylsulfanyl]propan-1-ol
CID 23500295
3-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropan-1-ol
CID 66105162
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol (CID 91250922) is 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol is CC(C)CSCCOCCCO.
What is the InChIKey of 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol?
The InChIKey is SJYPMNMNEFYGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-9(2)8-12-7-6-11-5-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol?
3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol has a molecular weight of 192.32 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol is sourced from PubChem (CID 91250922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).