2-butyl-2-methyl-1,3-oxathiolane

C8H16OS — CID 13004868

IUPAC2-butyl-2-methyl-1,3-oxathiolane
SMILESCCCCC1(C)OCCS1
InChIInChI=1S/C8H16OS/c1-3-4-5-8(2)9-6-7-10-8/h3-7H2,1-2H3
InChIKeyICMGYDYBCRBIRC-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.66
Rot. Bonds3

About 2-butyl-2-methyl-1,3-oxathiolane

2-butyl-2-methyl-1,3-oxathiolane (PubChem CID 13004868) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-butyl-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-butyl-2-methyl-1,3-oxathiolane
PubChem CID13004868
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-butyl-2-methyl-1,3-oxathiolane
SMILESCCCCC1(C)OCCS1
InChIInChI=1S/C8H16OS/c1-3-4-5-8(2)9-6-7-10-8/h3-7H2,1-2H3
InChIKeyICMGYDYBCRBIRC-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-butyl-2-methyl-1,3-oxathiolane (CID 13004868) is 2-butyl-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-butyl-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-butyl-2-methyl-1,3-oxathiolane is CCCCC1(C)OCCS1.
What is the InChIKey of 2-butyl-2-methyl-1,3-oxathiolane?
The InChIKey is ICMGYDYBCRBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-5-8(2)9-6-7-10-8/h3-7H2,1-2H3.
What are the key properties of 2-butyl-2-methyl-1,3-oxathiolane?
2-butyl-2-methyl-1,3-oxathiolane has a molecular weight of 160.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 13004868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).