1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol

C10H20O3S — CID 115823354

IUPAC1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-8(2)10(11)9-6-4-5-7-14(9,12)13/h8-11H,3-7H2,1-2H3
InChIKeyCFPIVGQXCGIXJG-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds3

About 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol

1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol (PubChem CID 115823354) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
PubChem CID115823354
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-8(2)10(11)9-6-4-5-7-14(9,12)13/h8-11H,3-7H2,1-2H3
InChIKeyCFPIVGQXCGIXJG-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
(8S)-8-[(S)-tert-butylsulfinyl]-2-methyloctadecan-7-ol
CID 134905422
(8R)-8-[(S)-tert-butylsulfinyl]-2-methyloctadecan-7-ol
CID 134905681
4-Ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101751
1-(4,4-Difluorocyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 105101775
4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101776
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101851
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-ol
CID 105464115
4-(1,1-Dioxothian-3-yl)-3-fluorobutan-2-ol
CID 105482103
4-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-ol
CID 105482104
1-(1,1-Dioxothian-3-yl)-1,1-difluoropropan-2-ol
CID 105485480

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol (CID 115823354) is 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol is CCC(C)C(O)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol?
The InChIKey is CFPIVGQXCGIXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-8(2)10(11)9-6-4-5-7-14(9,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol?
1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 115823354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).