ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane

C13H30OS — CID 142221831

IUPACethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC.CC.CCC1CSC(C)(C(C)C)O1
InChIInChI=1S/C9H18OS.2C2H6/c1-5-8-6-11-9(4,10-8)7(2)3;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3
InChIKeyAYLKLOYBBHFYDJ-UHFFFAOYSA-N
MW234.45 g/mol
LogP4.95
Rot. Bonds2

About ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane

ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane (PubChem CID 142221831) has the molecular formula C13H30OS and a molecular weight of 234.45 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane
PubChem CID142221831
Molecular FormulaC13H30OS
Molecular Weight234.45 g/mol
Exact Mass234.20
IUPAC Nameethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC.CC.CCC1CSC(C)(C(C)C)O1
InChIInChI=1S/C9H18OS.2C2H6/c1-5-8-6-11-9(4,10-8)7(2)3;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3
InChIKeyAYLKLOYBBHFYDJ-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane?
The IUPAC name of ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane (CID 142221831) is ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane.
What is the SMILES notation for ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane?
The canonical SMILES for ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane is CC.CC.CCC1CSC(C)(C(C)C)O1.
What is the InChIKey of ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane?
The InChIKey is AYLKLOYBBHFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS.2C2H6/c1-5-8-6-11-9(4,10-8)7(2)3;2*1-2/h7-8H,5-6H2,1-4H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane?
ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane has a molecular weight of 234.45 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-2-propan-2-yl-1,3-oxathiolane is sourced from PubChem (CID 142221831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).