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

C14H30OS — CID 67480785

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane
SMILESC1CCSC1.CC(C)(C)COCC(C)(C)C
InChIInChI=1S/C10H22O.C4H8S/c1-9(2,3)7-11-8-10(4,5)6;1-2-4-5-3-1/h7-8H2,1-6H3;1-4H2
InChIKeyRCENCJZUHLWHNM-UHFFFAOYSA-N
MW246.46 g/mol
LogP4.61
Rot. Bonds2

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

1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane (PubChem CID 67480785) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane
PubChem CID67480785
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane
SMILESC1CCSC1.CC(C)(C)COCC(C)(C)C
InChIInChI=1S/C10H22O.C4H8S/c1-9(2,3)7-11-8-10(4,5)6;1-2-4-5-3-1/h7-8H2,1-6H3;1-4H2
InChIKeyRCENCJZUHLWHNM-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane (CID 67480785) is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane is C1CCSC1.CC(C)(C)COCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane?
The InChIKey is RCENCJZUHLWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H8S/c1-9(2,3)7-11-8-10(4,5)6;1-2-4-5-3-1/h7-8H2,1-6H3;1-4H2.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane?
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane has a molecular weight of 246.46 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;thiolane is sourced from PubChem (CID 67480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).