6-(2-ethylbutylsulfonyl)hexan-1-ol

C12H26O3S — CID 58277250

IUPAC6-(2-ethylbutylsulfonyl)hexan-1-ol
SMILESCCC(CC)CS(=O)(=O)CCCCCCO
InChIInChI=1S/C12H26O3S/c1-3-12(4-2)11-16(14,15)10-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3
InChIKeyLISXBBWRTDPBIJ-UHFFFAOYSA-N
MW250.40 g/mol
LogP2.39
Rot. Bonds10

About 6-(2-ethylbutylsulfonyl)hexan-1-ol

6-(2-ethylbutylsulfonyl)hexan-1-ol (PubChem CID 58277250) has the molecular formula C12H26O3S and a molecular weight of 250.40 g/mol. Its IUPAC name is 6-(2-ethylbutylsulfonyl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-ethylbutylsulfonyl)hexan-1-ol
PubChem CID58277250
Molecular FormulaC12H26O3S
Molecular Weight250.40 g/mol
Exact Mass250.16
IUPAC Name6-(2-ethylbutylsulfonyl)hexan-1-ol
SMILESCCC(CC)CS(=O)(=O)CCCCCCO
InChIInChI=1S/C12H26O3S/c1-3-12(4-2)11-16(14,15)10-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3
InChIKeyLISXBBWRTDPBIJ-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutylsulfonyl)hexan-1-ol?
The IUPAC name of 6-(2-ethylbutylsulfonyl)hexan-1-ol (CID 58277250) is 6-(2-ethylbutylsulfonyl)hexan-1-ol.
What is the SMILES notation for 6-(2-ethylbutylsulfonyl)hexan-1-ol?
The canonical SMILES for 6-(2-ethylbutylsulfonyl)hexan-1-ol is CCC(CC)CS(=O)(=O)CCCCCCO.
What is the InChIKey of 6-(2-ethylbutylsulfonyl)hexan-1-ol?
The InChIKey is LISXBBWRTDPBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S/c1-3-12(4-2)11-16(14,15)10-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 6-(2-ethylbutylsulfonyl)hexan-1-ol?
6-(2-ethylbutylsulfonyl)hexan-1-ol has a molecular weight of 250.40 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutylsulfonyl)hexan-1-ol is sourced from PubChem (CID 58277250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).