1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol

C10H20O5S — CID 103547491

IUPAC1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1OCCO1
InChIInChI=1S/C10H20O5S/c1-2-16(12,13)7-3-4-9(11)8-10-14-5-6-15-10/h9-11H,2-8H2,1H3
InChIKeyFPSUKGOHPQJTKO-UHFFFAOYSA-N
MW252.33 g/mol
LogP0.33
Rot. Bonds7

About 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol

1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol (PubChem CID 103547491) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol
PubChem CID103547491
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)CC1OCCO1
InChIInChI=1S/C10H20O5S/c1-2-16(12,13)7-3-4-9(11)8-10-14-5-6-15-10/h9-11H,2-8H2,1H3
InChIKeyFPSUKGOHPQJTKO-UHFFFAOYSA-N
XLogP0.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,5S)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 24768571
(2S,3S,4S,5R)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576720
methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-propan-2-yloxyoxolan-2-yl]ethanesulfonate
CID 57893153
(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
CID 58214619
methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
CID 89097680
(2S,3S,5R)-2-methyl-1,1-dioxo-4-propan-2-yloxy-5-(propan-2-yloxymethyl)thiolan-3-ol
CID 122488504
methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
CID 146385308
1-Ethoxy-1-methoxyethanol;hexane-1,3-diol;thiolane 1,1-dioxide
CID 164035733
(2S,3S,4S,5R,6S)-2-(hexylsulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 15690335
S-[[(2S,3S,4R,5S)-3-hydroxy-5-methoxy-4-methylsulfonyloxyoxolan-2-yl]methyl] ethanethioate
CID 21589176
5-Ethylsulfonyl-1,1-dimethoxypentan-2-ol
CID 65983871
1,1-Diethoxy-5-methylsulfonylpentan-2-ol
CID 79496142

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol (CID 103547491) is 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol is CCS(=O)(=O)CCCC(O)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol?
The InChIKey is FPSUKGOHPQJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5S/c1-2-16(12,13)7-3-4-9(11)8-10-14-5-6-15-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol?
1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol has a molecular weight of 252.33 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-5-ethylsulfonylpentan-2-ol is sourced from PubChem (CID 103547491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).