3-ethyl-3-methyl-2-methylidene-1,4-oxathiane

C8H14OS — CID 15304238

IUPAC3-ethyl-3-methyl-2-methylidene-1,4-oxathiane
SMILESC=C1OCCSC1(C)CC
InChIInChI=1S/C8H14OS/c1-4-8(3)7(2)9-5-6-10-8/h2,4-6H2,1,3H3
InChIKeyPAUKFBFNCACLCG-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds1

About 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane

3-ethyl-3-methyl-2-methylidene-1,4-oxathiane (PubChem CID 15304238) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane.

Molecular Properties

Compound Name3-ethyl-3-methyl-2-methylidene-1,4-oxathiane
PubChem CID15304238
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-ethyl-3-methyl-2-methylidene-1,4-oxathiane
SMILESC=C1OCCSC1(C)CC
InChIInChI=1S/C8H14OS/c1-4-8(3)7(2)9-5-6-10-8/h2,4-6H2,1,3H3
InChIKeyPAUKFBFNCACLCG-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane?
The IUPAC name of 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane (CID 15304238) is 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane.
What is the SMILES notation for 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane?
The canonical SMILES for 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane is C=C1OCCSC1(C)CC.
What is the InChIKey of 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane?
The InChIKey is PAUKFBFNCACLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-8(3)7(2)9-5-6-10-8/h2,4-6H2,1,3H3.
What are the key properties of 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane?
3-ethyl-3-methyl-2-methylidene-1,4-oxathiane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2-methylidene-1,4-oxathiane is sourced from PubChem (CID 15304238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).