3-(1,1-dioxothian-2-yl)propan-1-ol

C8H16O3S — CID 91169967

IUPAC3-(1,1-dioxothian-2-yl)propan-1-ol
SMILESO=S1(=O)CCCCC1CCCO
InChIInChI=1S/C8H16O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h8-9H,1-7H2
InChIKeyPITHTIZSDMJXPK-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.73
Rot. Bonds3

About 3-(1,1-dioxothian-2-yl)propan-1-ol

3-(1,1-dioxothian-2-yl)propan-1-ol (PubChem CID 91169967) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(1,1-dioxothian-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothian-2-yl)propan-1-ol
PubChem CID91169967
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-(1,1-dioxothian-2-yl)propan-1-ol
SMILESO=S1(=O)CCCCC1CCCO
InChIInChI=1S/C8H16O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h8-9H,1-7H2
InChIKeyPITHTIZSDMJXPK-UHFFFAOYSA-N
XLogP0.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Octylsulfonyl)butan-1-ol
CID 5302358
12-Hydroxydodecyl methyl sulfoxide
CID 23126762
9-(4,4,5,5,5-Pentafluoropentylsulfonyl)nonan-1-ol
CID 88159627
10-(4,4,5,5,5-Pentafluoropentylsulfonyl)decan-1-ol
CID 88159767
7-(3,3,3-Trifluoropropylsulfonyl)heptan-1-ol
CID 158241376
7-(4,4,4-Trifluorobutylsulfonyl)heptan-1-ol
CID 161360929
7-(Octane-1-sulfinyl)heptan-1-ol
CID 42648216
10-(Methylsulfinyl)decan-1-ol
CID 23126770
1-(Methylsulphonyl)tetradecan-2-ol
CID 3020345
1-(1,1-Dioxothian-2-yl)-5,5,5-trifluoropentan-1-ol
CID 115828338
Sulfone, 2-hydroxyoctyl t-butyl
CID 545154
9-Thiabicyclo[3.3.1]nonan-2-ol 9,9-dioxide
CID 24209210

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-2-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dioxothian-2-yl)propan-1-ol (CID 91169967) is 3-(1,1-dioxothian-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothian-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dioxothian-2-yl)propan-1-ol is O=S1(=O)CCCCC1CCCO.
What is the InChIKey of 3-(1,1-dioxothian-2-yl)propan-1-ol?
The InChIKey is PITHTIZSDMJXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h8-9H,1-7H2.
What are the key properties of 3-(1,1-dioxothian-2-yl)propan-1-ol?
3-(1,1-dioxothian-2-yl)propan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-2-yl)propan-1-ol is sourced from PubChem (CID 91169967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).