1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol

C10H22O4S — CID 89057508

IUPAC1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol
SMILESCSCCC(O)OCCOC(O)C(C)C
InChIInChI=1S/C10H22O4S/c1-8(2)10(12)14-6-5-13-9(11)4-7-15-3/h8-12H,4-7H2,1-3H3
InChIKeyUKGLDSULJLTDPF-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.07
Rot. Bonds9

About 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol

1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol (PubChem CID 89057508) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol
PubChem CID89057508
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol
SMILESCSCCC(O)OCCOC(O)C(C)C
InChIInChI=1S/C10H22O4S/c1-8(2)10(12)14-6-5-13-9(11)4-7-15-3/h8-12H,4-7H2,1-3H3
InChIKeyUKGLDSULJLTDPF-UHFFFAOYSA-N
XLogP1.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol (CID 89057508) is 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol is CSCCC(O)OCCOC(O)C(C)C.
What is the InChIKey of 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol?
The InChIKey is UKGLDSULJLTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-8(2)10(12)14-6-5-13-9(11)4-7-15-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol?
1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxy-3-methylsulfanylpropoxy)ethoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 89057508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).