5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione

C11H18O5S2 — CID 15186323

IUPAC5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
SMILESCOCC1CSCC(=O)OCCCOC(=O)CS1
InChIInChI=1S/C11H18O5S2/c1-14-5-9-6-17-7-10(12)15-3-2-4-16-11(13)8-18-9/h9H,2-8H2,1H3
InChIKeyUEBJQNYFJCIOBA-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.96
Rot. Bonds2

About 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione

5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione (PubChem CID 15186323) has the molecular formula C11H18O5S2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione.

Molecular Properties

Compound Name5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
PubChem CID15186323
Molecular FormulaC11H18O5S2
Molecular Weight294.39 g/mol
Exact Mass294.06
IUPAC Name5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione
SMILESCOCC1CSCC(=O)OCCCOC(=O)CS1
InChIInChI=1S/C11H18O5S2/c1-14-5-9-6-17-7-10(12)15-3-2-4-16-11(13)8-18-9/h9H,2-8H2,1H3
InChIKeyUEBJQNYFJCIOBA-UHFFFAOYSA-N
XLogP0.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The IUPAC name of 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione (CID 15186323) is 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione.
What is the SMILES notation for 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The canonical SMILES for 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione is COCC1CSCC(=O)OCCCOC(=O)CS1.
What is the InChIKey of 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
The InChIKey is UEBJQNYFJCIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S2/c1-14-5-9-6-17-7-10(12)15-3-2-4-16-11(13)8-18-9/h9H,2-8H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione?
5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione has a molecular weight of 294.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,10-dioxa-4,7-dithiacyclotridecane-2,9-dione is sourced from PubChem (CID 15186323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).