6-ethylsulfonyl-1-propoxyhexan-3-ol

C11H24O4S — CID 105101770

IUPAC6-ethylsulfonyl-1-propoxyhexan-3-ol
SMILESCCCOCCC(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O4S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyLOAGXBOBTJZTSF-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.38
Rot. Bonds10

About 6-ethylsulfonyl-1-propoxyhexan-3-ol

6-ethylsulfonyl-1-propoxyhexan-3-ol (PubChem CID 105101770) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-ethylsulfonyl-1-propoxyhexan-3-ol.

Molecular Properties

Compound Name6-ethylsulfonyl-1-propoxyhexan-3-ol
PubChem CID105101770
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name6-ethylsulfonyl-1-propoxyhexan-3-ol
SMILESCCCOCCC(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O4S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyLOAGXBOBTJZTSF-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonylnonan-4-ol
CID 65149246
1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
1-propoxyoct-7-en-3-ol
CID 105102038
1-ethylsulfonyl-7-methoxyoctan-4-ol
CID 105101726
6-ethylsulfonyl-1-propoxyhexan-3-one
CID 105103944
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
4-butoxy-1-methylsulfonylbutan-2-ol
CID 115001591
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-methoxy-5-propoxypentan-2-ol
CID 106455960
5-ethylsulfonyl-1-propoxypentan-2-one
CID 65097748
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1-propoxyhexan-3-ol?
The IUPAC name of 6-ethylsulfonyl-1-propoxyhexan-3-ol (CID 105101770) is 6-ethylsulfonyl-1-propoxyhexan-3-ol.
What is the SMILES notation for 6-ethylsulfonyl-1-propoxyhexan-3-ol?
The canonical SMILES for 6-ethylsulfonyl-1-propoxyhexan-3-ol is CCCOCCC(O)CCCS(=O)(=O)CC.
What is the InChIKey of 6-ethylsulfonyl-1-propoxyhexan-3-ol?
The InChIKey is LOAGXBOBTJZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-3-8-15-9-7-11(12)6-5-10-16(13,14)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-1-propoxyhexan-3-ol?
6-ethylsulfonyl-1-propoxyhexan-3-ol has a molecular weight of 252.38 g/mol, XLogP of 1.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1-propoxyhexan-3-ol is sourced from PubChem (CID 105101770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).