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

C10H20O3S — CID 66025467

IUPAC2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20O3S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9,11H,3-8H2,1-2H3
InChIKeyWMPIBTNZHZYEEU-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.22
Rot. Bonds4

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

2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol (PubChem CID 66025467) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol
PubChem CID66025467
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20O3S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9,11H,3-8H2,1-2H3
InChIKeyWMPIBTNZHZYEEU-UHFFFAOYSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-chloro-2-(chloromethyl)hexan-2-yl]thiolane 1,1-dioxide
CID 79447752
2-(1,1-dioxothiolan-3-yl)-2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185078
diethyl 2-(1,1-dioxothiolan-3-yl)-2-propan-2-ylpropanedioate
CID 103972504
2-(1,1-dioxothiolan-3-yl)-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973459
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 113240352
4-(2-methyloctan-2-yl)thiane 1,1-dioxide
CID 130320648
2-(1,1-dioxothian-4-yl)propan-2-amine
CID 82604372
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
3-[1-chloro-2-(chloromethyl)-4-ethylsulfonylbutan-2-yl]thiolane 1,1-dioxide
CID 79448392
3-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]thiolane 1,1-dioxide
CID 112592545
3-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]thiolane 1,1-dioxide
CID 83168418
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476121

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol (CID 66025467) is 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol is CCCC(C)(CO)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol?
The InChIKey is WMPIBTNZHZYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol?
2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 66025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).