3-(2,2-dimethylpropylsulfonyl)propan-1-ol

C8H18O3S — CID 89465932

IUPAC3-(2,2-dimethylpropylsulfonyl)propan-1-ol
SMILESCC(C)(C)CS(=O)(=O)CCCO
InChIInChI=1S/C8H18O3S/c1-8(2,3)7-12(10,11)6-4-5-9/h9H,4-7H2,1-3H3
InChIKeyWKXKOPOGURHNGU-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.83
Rot. Bonds4

About 3-(2,2-dimethylpropylsulfonyl)propan-1-ol

3-(2,2-dimethylpropylsulfonyl)propan-1-ol (PubChem CID 89465932) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropylsulfonyl)propan-1-ol
PubChem CID89465932
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name3-(2,2-dimethylpropylsulfonyl)propan-1-ol
SMILESCC(C)(C)CS(=O)(=O)CCCO
InChIInChI=1S/C8H18O3S/c1-8(2,3)7-12(10,11)6-4-5-9/h9H,4-7H2,1-3H3
InChIKeyWKXKOPOGURHNGU-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylsulfonyl)-1-propanol
CID 200424
3-(Butylsulfonyl)propanol
CID 3341631
3-(Octylsulfonyl)propan-1-ol
CID 5302360
2-(Butylsulfonyl)ethanol
CID 12943302
2-[3-(2-Hydroxyethylsulfonyl)-2,2-bis(2-hydroxyethylsulfonylmethyl)propyl]sulfonylethanol
CID 54321550
2-[(1,1-Dimethylethyl)sulfonyl]-1-propanol
CID 317716
1-(Butylsulfonyl)pentan-5-ol
CID 42648215
2-([2-(Butane-1-sulfonyl)ethyl]sulfanyl)ethanol
CID 45490127
2-(Hexylsulfonyl)ethanol
CID 5302362
2-Tert-butylsulfonylethanol
CID 13568197
3-Tert-butylsulfinylpropan-1-ol
CID 12300965
3-(Ethylthio)-2-[bis(butylsulfonyl)methyl]propan-1-ol
CID 15112244

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylsulfonyl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethylpropylsulfonyl)propan-1-ol (CID 89465932) is 3-(2,2-dimethylpropylsulfonyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpropylsulfonyl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpropylsulfonyl)propan-1-ol is CC(C)(C)CS(=O)(=O)CCCO.
What is the InChIKey of 3-(2,2-dimethylpropylsulfonyl)propan-1-ol?
The InChIKey is WKXKOPOGURHNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-8(2,3)7-12(10,11)6-4-5-9/h9H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropylsulfonyl)propan-1-ol?
3-(2,2-dimethylpropylsulfonyl)propan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylsulfonyl)propan-1-ol is sourced from PubChem (CID 89465932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).