1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol

C10H20O4S — CID 103456805

IUPAC1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
SMILESCCS(=O)(=O)CCCC(O)C(O)C1CC1
InChIInChI=1S/C10H20O4S/c1-2-15(13,14)7-3-4-9(11)10(12)8-5-6-8/h8-12H,2-7H2,1H3
InChIKeyHIOVUTRMYMRNAA-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.33
Rot. Bonds7

About 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol

1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol (PubChem CID 103456805) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
PubChem CID103456805
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
SMILESCCS(=O)(=O)CCCC(O)C(O)C1CC1
InChIInChI=1S/C10H20O4S/c1-2-15(13,14)7-3-4-9(11)10(12)8-5-6-8/h8-12H,2-7H2,1H3
InChIKeyHIOVUTRMYMRNAA-UHFFFAOYSA-N
XLogP0.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560105
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
1-ethylsulfonylnonan-4-ol
CID 65149246
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771
1-cyclobutylpentane-1,2-diol
CID 103454869
1-chloro-7-ethylsulfonylheptan-4-ol
CID 66047552
(1-cyclopropyl-1-ethoxy-5-ethylsulfonylpentan-2-yl)hydrazine
CID 105273025
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol?
The IUPAC name of 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol (CID 103456805) is 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol is CCS(=O)(=O)CCCC(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol?
The InChIKey is HIOVUTRMYMRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-2-15(13,14)7-3-4-9(11)10(12)8-5-6-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol?
1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol has a molecular weight of 236.33 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol is sourced from PubChem (CID 103456805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).