3,3-diethyl-2-methylidene-1,4-oxathiane

C9H16OS — CID 15304240

IUPAC3,3-diethyl-2-methylidene-1,4-oxathiane
SMILESC=C1OCCSC1(CC)CC
InChIInChI=1S/C9H16OS/c1-4-9(5-2)8(3)10-6-7-11-9/h3-7H2,1-2H3
InChIKeyWYAZUOPBTRXYMK-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds2

About 3,3-diethyl-2-methylidene-1,4-oxathiane

3,3-diethyl-2-methylidene-1,4-oxathiane (PubChem CID 15304240) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3,3-diethyl-2-methylidene-1,4-oxathiane.

Molecular Properties

Compound Name3,3-diethyl-2-methylidene-1,4-oxathiane
PubChem CID15304240
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3,3-diethyl-2-methylidene-1,4-oxathiane
SMILESC=C1OCCSC1(CC)CC
InChIInChI=1S/C9H16OS/c1-4-9(5-2)8(3)10-6-7-11-9/h3-7H2,1-2H3
InChIKeyWYAZUOPBTRXYMK-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methylidene-1,4-oxathiane?
The IUPAC name of 3,3-diethyl-2-methylidene-1,4-oxathiane (CID 15304240) is 3,3-diethyl-2-methylidene-1,4-oxathiane.
What is the SMILES notation for 3,3-diethyl-2-methylidene-1,4-oxathiane?
The canonical SMILES for 3,3-diethyl-2-methylidene-1,4-oxathiane is C=C1OCCSC1(CC)CC.
What is the InChIKey of 3,3-diethyl-2-methylidene-1,4-oxathiane?
The InChIKey is WYAZUOPBTRXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-4-9(5-2)8(3)10-6-7-11-9/h3-7H2,1-2H3.
What are the key properties of 3,3-diethyl-2-methylidene-1,4-oxathiane?
3,3-diethyl-2-methylidene-1,4-oxathiane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methylidene-1,4-oxathiane is sourced from PubChem (CID 15304240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).