1-ethylsulfonyl-7-methoxyoctan-4-ol

C11H24O4S — CID 105101726

IUPAC1-ethylsulfonyl-7-methoxyoctan-4-ol
SMILESCCS(=O)(=O)CCCC(O)CCC(C)OC
InChIInChI=1S/C11H24O4S/c1-4-16(13,14)9-5-6-11(12)8-7-10(2)15-3/h10-12H,4-9H2,1-3H3
InChIKeyFXZDPOCZYUNZKO-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.38
Rot. Bonds9

About 1-ethylsulfonyl-7-methoxyoctan-4-ol

1-ethylsulfonyl-7-methoxyoctan-4-ol (PubChem CID 105101726) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-7-methoxyoctan-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-7-methoxyoctan-4-ol
PubChem CID105101726
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name1-ethylsulfonyl-7-methoxyoctan-4-ol
SMILESCCS(=O)(=O)CCCC(O)CCC(C)OC
InChIInChI=1S/C11H24O4S/c1-4-16(13,14)9-5-6-11(12)8-7-10(2)15-3/h10-12H,4-9H2,1-3H3
InChIKeyFXZDPOCZYUNZKO-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

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Related Compounds

1-ethylsulfonylnonan-4-ol
CID 65149246
1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
8-methoxynonan-3-ol
CID 140998506
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
CID 116752031
1-ethylsulfonyl-6-methoxy-N-propylheptan-4-amine
CID 113391491
7-ethylsulfonyl-4-methylheptan-3-one
CID 65097723
7-methyl-1-methylsulfonyloctan-4-ol
CID 63192258
9-methoxy-1-nitrosodecan-5-ol
CID 154980449
5-ethylsulfonyl-2-propan-2-ylpentanoic acid
CID 65098306
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-7-methoxyoctan-4-ol?
The IUPAC name of 1-ethylsulfonyl-7-methoxyoctan-4-ol (CID 105101726) is 1-ethylsulfonyl-7-methoxyoctan-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-7-methoxyoctan-4-ol?
The canonical SMILES for 1-ethylsulfonyl-7-methoxyoctan-4-ol is CCS(=O)(=O)CCCC(O)CCC(C)OC.
What is the InChIKey of 1-ethylsulfonyl-7-methoxyoctan-4-ol?
The InChIKey is FXZDPOCZYUNZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-4-16(13,14)9-5-6-11(12)8-7-10(2)15-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-7-methoxyoctan-4-ol?
1-ethylsulfonyl-7-methoxyoctan-4-ol has a molecular weight of 252.38 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-7-methoxyoctan-4-ol is sourced from PubChem (CID 105101726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).