1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione

C10H16O4S2 — CID 139064742

IUPAC1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione
SMILESO=C1CSCCCOC(=O)CSCCCO1
InChIInChI=1S/C10H16O4S2/c11-9-8-16-6-2-4-14-10(12)7-15-5-1-3-13-9/h1-8H2
InChIKeyOAZCNEHRVSHXSN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds

About 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione

1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione (PubChem CID 139064742) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione.

Molecular Properties

Compound Name1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione
PubChem CID139064742
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione
SMILESO=C1CSCCCOC(=O)CSCCCO1
InChIInChI=1S/C10H16O4S2/c11-9-8-16-6-2-4-14-10(12)7-15-5-1-3-13-9/h1-8H2
InChIKeyOAZCNEHRVSHXSN-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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Frequently Asked Questions

What is the IUPAC name of 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione?
The IUPAC name of 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione (CID 139064742) is 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione.
What is the SMILES notation for 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione?
The canonical SMILES for 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione is O=C1CSCCCOC(=O)CSCCCO1.
What is the InChIKey of 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione?
The InChIKey is OAZCNEHRVSHXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c11-9-8-16-6-2-4-14-10(12)7-15-5-1-3-13-9/h1-8H2.
What are the key properties of 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione?
1,8-dioxa-4,11-dithiacyclotetradecane-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 1,8-dioxa-4,11-dithiacyclotetradecane-2,9-dione is sourced from PubChem (CID 139064742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).