3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione

C6H8GeO4S2 — CID 16686304

IUPAC3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione
SMILESCC1S[Ge]2(OC1=O)OC(=O)C(C)S2
InChIInChI=1S/C6H8GeO4S2/c1-3-5(8)10-7(12-3)11-6(9)4(2)13-7/h3-4H,1-2H3
InChIKeyWHPLRBIGSKBPQW-UHFFFAOYSA-N
MW280.87 g/mol
LogP0.78
Rot. Bonds

About 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione

3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione (PubChem CID 16686304) has the molecular formula C6H8GeO4S2 and a molecular weight of 280.87 g/mol. Its IUPAC name is 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione
PubChem CID16686304
Molecular FormulaC6H8GeO4S2
Molecular Weight280.87 g/mol
Exact Mass281.91
IUPAC Name3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione
SMILESCC1S[Ge]2(OC1=O)OC(=O)C(C)S2
InChIInChI=1S/C6H8GeO4S2/c1-3-5(8)10-7(12-3)11-6(9)4(2)13-7/h3-4H,1-2H3
InChIKeyWHPLRBIGSKBPQW-UHFFFAOYSA-N
XLogP0.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.87
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione (CID 16686304) is 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione is CC1S[Ge]2(OC1=O)OC(=O)C(C)S2.
What is the InChIKey of 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione?
The InChIKey is WHPLRBIGSKBPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8GeO4S2/c1-3-5(8)10-7(12-3)11-6(9)4(2)13-7/h3-4H,1-2H3.
What are the key properties of 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione?
3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione has a molecular weight of 280.87 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,6-dioxa-4,9-dithia-5-germaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 16686304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).