3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol

C10H22O2S2 — CID 15081804

IUPAC3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol
SMILESCC(C)(CCO)SSC(C)(C)CCO
InChIInChI=1S/C10H22O2S2/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h11-12H,5-8H2,1-4H3
InChIKeyIUFRODSYFHWAMB-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.69
Rot. Bonds7

About 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol

3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol (PubChem CID 15081804) has the molecular formula C10H22O2S2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol
PubChem CID15081804
Molecular FormulaC10H22O2S2
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol
SMILESCC(C)(CCO)SSC(C)(C)CCO
InChIInChI=1S/C10H22O2S2/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h11-12H,5-8H2,1-4H3
InChIKeyIUFRODSYFHWAMB-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol?
The IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol (CID 15081804) is 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol is CC(C)(CCO)SSC(C)(C)CCO.
What is the InChIKey of 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol?
The InChIKey is IUFRODSYFHWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S2/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h11-12H,5-8H2,1-4H3.
What are the key properties of 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol?
3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol has a molecular weight of 238.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2-methylbutan-2-yl)disulfanyl]-3-methylbutan-1-ol is sourced from PubChem (CID 15081804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).