1-butylsulfonyl-3-propan-2-yloxypropan-2-ol

C10H22O4S — CID 2843073

IUPAC1-butylsulfonyl-3-propan-2-yloxypropan-2-ol
SMILESCCCCS(=O)(=O)CC(O)COC(C)C
InChIInChI=1S/C10H22O4S/c1-4-5-6-15(12,13)8-10(11)7-14-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyJUPCRUNHUIRDHC-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.99
Rot. Bonds8

About 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol

1-butylsulfonyl-3-propan-2-yloxypropan-2-ol (PubChem CID 2843073) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-butylsulfonyl-3-propan-2-yloxypropan-2-ol
PubChem CID2843073
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name1-butylsulfonyl-3-propan-2-yloxypropan-2-ol
SMILESCCCCS(=O)(=O)CC(O)COC(C)C
InChIInChI=1S/C10H22O4S/c1-4-5-6-15(12,13)8-10(11)7-14-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyJUPCRUNHUIRDHC-UHFFFAOYSA-N
XLogP0.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Diethoxytetrahydrothiophene 1,1-dioxide
CID 2831188
3-Hydroxy-4-methoxy-1lambda~6~-thiolane-1,1-dione
CID 209859
1-(Butylsulfinyl)-3-ethoxy-2-propanol
CID 2842988
4-(2-Hydroxyethoxy)-1lambda6-thiane-1,1-dione
CID 132351222
5,8,11-Trimethyl-4,7,10-trioxa-13-thiatetradecan-2-ol
CID 20834289
trans-3-Hydroxy-4-methoxysulfolane
CID 7005977
3-Butylsulfonylpropane-1,2-diol
CID 102143615
2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol
CID 5748726
1-(Butylsulfinyl)-3-isopropoxy-2-propanol
CID 2842570
1-(Butylsulfonyl)-3-ethoxy-2-propanol
CID 2842725
1-(Butylthio)-3-isopropoxy-2-propanol
CID 5339010
(S)-3-(2-hydroxyethoxy)-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 7059094

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol (CID 2843073) is 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol is CCCCS(=O)(=O)CC(O)COC(C)C.
What is the InChIKey of 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is JUPCRUNHUIRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-4-5-6-15(12,13)8-10(11)7-14-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol?
1-butylsulfonyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 2843073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).