6-(tert-butyldisulfanyl)hexan-1-ol

C10H22OS2 — CID 10987861

IUPAC6-(tert-butyldisulfanyl)hexan-1-ol
SMILESCC(C)(C)SSCCCCCCO
InChIInChI=1S/C10H22OS2/c1-10(2,3)13-12-9-7-5-4-6-8-11/h11H,4-9H2,1-3H3
InChIKeyNPXSKOBVEXTNJT-UHFFFAOYSA-N
MW222.42 g/mol
LogP3.72
Rot. Bonds7

About 6-(tert-butyldisulfanyl)hexan-1-ol

6-(tert-butyldisulfanyl)hexan-1-ol (PubChem CID 10987861) has the molecular formula C10H22OS2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 6-(tert-butyldisulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(tert-butyldisulfanyl)hexan-1-ol
PubChem CID10987861
Molecular FormulaC10H22OS2
Molecular Weight222.42 g/mol
Exact Mass222.11
IUPAC Name6-(tert-butyldisulfanyl)hexan-1-ol
SMILESCC(C)(C)SSCCCCCCO
InChIInChI=1S/C10H22OS2/c1-10(2,3)13-12-9-7-5-4-6-8-11/h11H,4-9H2,1-3H3
InChIKeyNPXSKOBVEXTNJT-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butyldisulfanyl)hexan-1-ol?
The IUPAC name of 6-(tert-butyldisulfanyl)hexan-1-ol (CID 10987861) is 6-(tert-butyldisulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(tert-butyldisulfanyl)hexan-1-ol?
The canonical SMILES for 6-(tert-butyldisulfanyl)hexan-1-ol is CC(C)(C)SSCCCCCCO.
What is the InChIKey of 6-(tert-butyldisulfanyl)hexan-1-ol?
The InChIKey is NPXSKOBVEXTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2/c1-10(2,3)13-12-9-7-5-4-6-8-11/h11H,4-9H2,1-3H3.
What are the key properties of 6-(tert-butyldisulfanyl)hexan-1-ol?
6-(tert-butyldisulfanyl)hexan-1-ol has a molecular weight of 222.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butyldisulfanyl)hexan-1-ol is sourced from PubChem (CID 10987861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).