1-ethylsulfonylnonan-4-ol

C11H24O3S — CID 65149246

IUPAC1-ethylsulfonylnonan-4-ol
SMILESCCCCCC(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O3S/c1-3-5-6-8-11(12)9-7-10-15(13,14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyLXQSZGDPILBVAX-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.14
Rot. Bonds9

About 1-ethylsulfonylnonan-4-ol

1-ethylsulfonylnonan-4-ol (PubChem CID 65149246) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-ethylsulfonylnonan-4-ol.

Molecular Properties

Compound Name1-ethylsulfonylnonan-4-ol
PubChem CID65149246
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name1-ethylsulfonylnonan-4-ol
SMILESCCCCCC(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H24O3S/c1-3-5-6-8-11(12)9-7-10-15(13,14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyLXQSZGDPILBVAX-UHFFFAOYSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.14
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

1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
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nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylnonan-4-ol?
The IUPAC name of 1-ethylsulfonylnonan-4-ol (CID 65149246) is 1-ethylsulfonylnonan-4-ol.
What is the SMILES notation for 1-ethylsulfonylnonan-4-ol?
The canonical SMILES for 1-ethylsulfonylnonan-4-ol is CCCCCC(O)CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonylnonan-4-ol?
The InChIKey is LXQSZGDPILBVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-5-6-8-11(12)9-7-10-15(13,14)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-ethylsulfonylnonan-4-ol?
1-ethylsulfonylnonan-4-ol has a molecular weight of 236.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylnonan-4-ol is sourced from PubChem (CID 65149246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).