4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol

C8H16O4S — CID 79424724

IUPAC4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol
SMILESCC(O)C(C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H16O4S/c1-5(6(2)9)7-3-13(11,12)4-8(7)10/h5-10H,3-4H2,1-2H3
InChIKeyARTOQOCAEKUVPP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.59
Rot. Bonds2

About 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol

4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol (PubChem CID 79424724) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol
PubChem CID79424724
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol
SMILESCC(O)C(C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H16O4S/c1-5(6(2)9)7-3-13(11,12)4-8(7)10/h5-10H,3-4H2,1-2H3
InChIKeyARTOQOCAEKUVPP-UHFFFAOYSA-N
XLogP-0.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol (CID 79424724) is 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol is CC(O)C(C)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is ARTOQOCAEKUVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-5(6(2)9)7-3-13(11,12)4-8(7)10/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol?
4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 208.28 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 79424724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).