2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane

C9H16O2S2 — CID 22186245

IUPAC2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
SMILESCC1CSC2(OC(C)CS2)C(C)O1
InChIInChI=1S/C9H16O2S2/c1-6-4-12-9(8(3)10-6)11-7(2)5-13-9/h6-8H,4-5H2,1-3H3
InChIKeyCISYOJMVSGTGIU-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.33
Rot. Bonds

About 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane

2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane (PubChem CID 22186245) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
PubChem CID22186245
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
SMILESCC1CSC2(OC(C)CS2)C(C)O1
InChIInChI=1S/C9H16O2S2/c1-6-4-12-9(8(3)10-6)11-7(2)5-13-9/h6-8H,4-5H2,1-3H3
InChIKeyCISYOJMVSGTGIU-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The IUPAC name of 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane (CID 22186245) is 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane.
What is the SMILES notation for 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The canonical SMILES for 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane is CC1CSC2(OC(C)CS2)C(C)O1.
What is the InChIKey of 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
The InChIKey is CISYOJMVSGTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-6-4-12-9(8(3)10-6)11-7(2)5-13-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane?
2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane has a molecular weight of 220.36 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10-trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane is sourced from PubChem (CID 22186245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).