2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol

C8H18O2S2 — CID 15061983

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)SSC(C)(C)CO
InChIInChI=1S/C8H18O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h9-10H,5-6H2,1-4H3
InChIKeyRKIUKWLUGAFWFQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.91
Rot. Bonds5

About 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol

2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol (PubChem CID 15061983) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol
PubChem CID15061983
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)SSC(C)(C)CO
InChIInChI=1S/C8H18O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h9-10H,5-6H2,1-4H3
InChIKeyRKIUKWLUGAFWFQ-UHFFFAOYSA-N
XLogP1.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol (CID 15061983) is 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol is CC(C)(CO)SSC(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol?
The InChIKey is RKIUKWLUGAFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h9-10H,5-6H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol?
2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 15061983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).