1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide

C14H30O3S — CID 67480787

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide
SMILESCC(C)(C)COCC(C)(C)C.O=S1(=O)CCCC1
InChIInChI=1S/C10H22O.C4H8O2S/c1-9(2,3)7-11-8-10(4,5)6;5-7(6)3-1-2-4-7/h7-8H2,1-6H3;1-4H2
InChIKeyLBZVJWOBLCZYFK-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.29
Rot. Bonds2

About 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide

1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide (PubChem CID 67480787) has the molecular formula C14H30O3S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide
PubChem CID67480787
Molecular FormulaC14H30O3S
Molecular Weight278.46 g/mol
Exact Mass278.19
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide
SMILESCC(C)(C)COCC(C)(C)C.O=S1(=O)CCCC1
InChIInChI=1S/C10H22O.C4H8O2S/c1-9(2,3)7-11-8-10(4,5)6;5-7(6)3-1-2-4-7/h7-8H2,1-6H3;1-4H2
InChIKeyLBZVJWOBLCZYFK-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide (CID 67480787) is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide is CC(C)(C)COCC(C)(C)C.O=S1(=O)CCCC1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide?
The InChIKey is LBZVJWOBLCZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H8O2S/c1-9(2,3)7-11-8-10(4,5)6;5-7(6)3-1-2-4-7/h7-8H2,1-6H3;1-4H2.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide?
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide has a molecular weight of 278.46 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane 1,1-dioxide is sourced from PubChem (CID 67480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).