5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol

C11H22O4S — CID 65098323

IUPAC5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1CCCO1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-12H,2-9H2,1H3
InChIKeyKGXLKVNMSMLYPR-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.13
Rot. Bonds7

About 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol

5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol (PubChem CID 65098323) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
PubChem CID65098323
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1CCCO1
InChIInChI=1S/C11H22O4S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-12H,2-9H2,1H3
InChIKeyKGXLKVNMSMLYPR-UHFFFAOYSA-N
XLogP1.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yl)heptan-2-ol
CID 62606693
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
CID 114982933
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039
(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
CID 7095988
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
CID 114474030
3-ethyl-1-(oxolan-2-yl)pentan-2-ol
CID 65148329
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
1-ethylsulfonylnonan-4-ol
CID 65149246

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol (CID 65098323) is 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol is CCS(=O)(=O)CCCC(O)CC1CCCO1.
What is the InChIKey of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol?
The InChIKey is KGXLKVNMSMLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-12H,2-9H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol?
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol has a molecular weight of 250.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 65098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).