5-tert-butylsulfonylpentan-1-ol

C9H20O3S — CID 14965524

IUPAC5-tert-butylsulfonylpentan-1-ol
SMILESCC(C)(C)S(=O)(=O)CCCCCO
InChIInChI=1S/C9H20O3S/c1-9(2,3)13(11,12)8-6-4-5-7-10/h10H,4-8H2,1-3H3
InChIKeySIFYWLKKXPKEIN-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.36
Rot. Bonds5

About 5-tert-butylsulfonylpentan-1-ol

5-tert-butylsulfonylpentan-1-ol (PubChem CID 14965524) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 5-tert-butylsulfonylpentan-1-ol.

Molecular Properties

Compound Name5-tert-butylsulfonylpentan-1-ol
PubChem CID14965524
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name5-tert-butylsulfonylpentan-1-ol
SMILESCC(C)(C)S(=O)(=O)CCCCCO
InChIInChI=1S/C9H20O3S/c1-9(2,3)13(11,12)8-6-4-5-7-10/h10H,4-8H2,1-3H3
InChIKeySIFYWLKKXPKEIN-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.36
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

5-ethylsulfonylpentan-1-ol
CID 62353355
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
CID 103710302
3-tert-butylsulfonylpropoxy(trimethyl)silane
CID 12020598
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
2-(2-iodoethylsulfonyl)-2-methylpropane
CID 106732671
4-hydroxybutane-1-sulfonamide
CID 21436386

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonylpentan-1-ol?
The IUPAC name of 5-tert-butylsulfonylpentan-1-ol (CID 14965524) is 5-tert-butylsulfonylpentan-1-ol.
What is the SMILES notation for 5-tert-butylsulfonylpentan-1-ol?
The canonical SMILES for 5-tert-butylsulfonylpentan-1-ol is CC(C)(C)S(=O)(=O)CCCCCO.
What is the InChIKey of 5-tert-butylsulfonylpentan-1-ol?
The InChIKey is SIFYWLKKXPKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-9(2,3)13(11,12)8-6-4-5-7-10/h10H,4-8H2,1-3H3.
What are the key properties of 5-tert-butylsulfonylpentan-1-ol?
5-tert-butylsulfonylpentan-1-ol has a molecular weight of 208.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonylpentan-1-ol is sourced from PubChem (CID 14965524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).