5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione

C10H16O4S2 — CID 15186314

IUPAC5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
SMILESCC1CSCC(=O)OCCCOC(=O)CS1
InChIInChI=1S/C10H16O4S2/c1-8-5-15-6-9(11)13-3-2-4-14-10(12)7-16-8/h8H,2-7H2,1H3
InChIKeyYKKYAXUXEXOGDP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds

About 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione

5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione (PubChem CID 15186314) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione.

Molecular Properties

Compound Name5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
PubChem CID15186314
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
SMILESCC1CSCC(=O)OCCCOC(=O)CS1
InChIInChI=1S/C10H16O4S2/c1-8-5-15-6-9(11)13-3-2-4-14-10(12)7-16-8/h8H,2-7H2,1H3
InChIKeyYKKYAXUXEXOGDP-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Diethyl thiodipropionate
CID 69603
2,2'-Thiodiethanol diacetate
CID 20270
Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester
CID 81460
Dibutyl 2,2'-thiobisacetate
CID 77768
2,3-Bis(acetylsulfanyl)propyl acetate
CID 42924
2,3-Dimercaptopropan-1-ol tributyrate
CID 194061
Diethyl 2,2'-thiodiacetate
CID 70216
Propanoic acid, 3-(butylthio)-, ethyl ester
CID 109982
Ethyl bis(ethylthio)acetate
CID 88550
Dibutyl methylenedithiodi(acetate)
CID 84361
Dithiothreitol tetraacetate
CID 162250
(2-Ethoxy-2-oxoethyl)(dipropyl)sulfanium bromide
CID 116213

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The IUPAC name of 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione (CID 15186314) is 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione.
What is the SMILES notation for 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The canonical SMILES for 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione is CC1CSCC(=O)OCCCOC(=O)CS1.
What is the InChIKey of 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The InChIKey is YKKYAXUXEXOGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c1-8-5-15-6-9(11)13-3-2-4-14-10(12)7-16-8/h8H,2-7H2,1H3.
What are the key properties of 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione has a molecular weight of 264.37 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione is sourced from PubChem (CID 15186314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).