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

C10H20O3S — CID 62913879

IUPAC3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
SMILESCC(C)C(C(C)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20O3S/c1-7(2)10(8(3)11)9-4-5-14(12,13)6-9/h7-11H,4-6H2,1-3H3
InChIKeyFSVRDGHVEYOYAP-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.07
Rot. Bonds3

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

3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol (PubChem CID 62913879) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
PubChem CID62913879
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
SMILESCC(C)C(C(C)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20O3S/c1-7(2)10(8(3)11)9-4-5-14(12,13)6-9/h7-11H,4-6H2,1-3H3
InChIKeyFSVRDGHVEYOYAP-UHFFFAOYSA-N
XLogP1.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
2-(1,1-dioxothiolan-3-yl)propanoate
CID 57370501
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612
2-(1,1-dioxothiolan-3-yl)propanediamide
CID 3152336
2-[(3R)-1,1-dioxothiolan-3-yl]propanediamide
CID 7073543
4-butan-2-ylthiane 1,1-dioxide
CID 123360092
1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine
CID 115336537
1-(1,1-dioxothiolan-3-yl)hex-4-yn-1-ol
CID 104804177
1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 66460317
4-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]phenol
CID 115044716

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol (CID 62913879) is 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol is CC(C)C(C(C)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol?
The InChIKey is FSVRDGHVEYOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-7(2)10(8(3)11)9-4-5-14(12,13)6-9/h7-11H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol?
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol has a molecular weight of 220.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 62913879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).