1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane

C11H20OS2 — CID 58210260

IUPAC1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane
SMILESCCC1CC2(SCCCS2)C(CC)O1
InChIInChI=1S/C11H20OS2/c1-3-9-8-11(10(4-2)12-9)13-6-5-7-14-11/h9-10H,3-8H2,1-2H3
InChIKeyMZJJQQKERUIWKO-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.53
Rot. Bonds2

About 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane

1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane (PubChem CID 58210260) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane
PubChem CID58210260
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane
SMILESCCC1CC2(SCCCS2)C(CC)O1
InChIInChI=1S/C11H20OS2/c1-3-9-8-11(10(4-2)12-9)13-6-5-7-14-11/h9-10H,3-8H2,1-2H3
InChIKeyMZJJQQKERUIWKO-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane?
The IUPAC name of 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane (CID 58210260) is 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane.
What is the SMILES notation for 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane?
The canonical SMILES for 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane is CCC1CC2(SCCCS2)C(CC)O1.
What is the InChIKey of 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane?
The InChIKey is MZJJQQKERUIWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c1-3-9-8-11(10(4-2)12-9)13-6-5-7-14-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane?
1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane has a molecular weight of 232.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane is sourced from PubChem (CID 58210260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).