4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol

C10H20O3S — CID 126656779

IUPAC4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol
SMILESCC(C)(C)CC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-9(2,3)8-10(11)4-6-14(12,13)7-5-10/h11H,4-8H2,1-3H3
InChIKeyCFADSRVZTXDRTP-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol

4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol (PubChem CID 126656779) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol
PubChem CID126656779
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol
SMILESCC(C)(C)CC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O3S/c1-9(2,3)8-10(11)4-6-14(12,13)7-5-10/h11H,4-8H2,1-3H3
InChIKeyCFADSRVZTXDRTP-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol?
The IUPAC name of 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol (CID 126656779) is 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol is CC(C)(C)CC1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol?
The InChIKey is CFADSRVZTXDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2,3)8-10(11)4-6-14(12,13)7-5-10/h11H,4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol?
4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol is sourced from PubChem (CID 126656779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).