1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane

C12H24O4S2 — CID 5250405

IUPAC1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane
SMILESC1COCCOCCSCCSCCOCCO1
InChIInChI=1S/C12H24O4S2/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2
InChIKeyYPWJPPTWZSDQOY-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.53
Rot. Bonds

About 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane

1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane (PubChem CID 5250405) has the molecular formula C12H24O4S2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane
PubChem CID5250405
Molecular FormulaC12H24O4S2
Molecular Weight296.45 g/mol
Exact Mass296.11
IUPAC Name1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane
SMILESC1COCCOCCSCCSCCOCCO1
InChIInChI=1S/C12H24O4S2/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2
InChIKeyYPWJPPTWZSDQOY-UHFFFAOYSA-N
XLogP1.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane?
The IUPAC name of 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane (CID 5250405) is 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane.
What is the SMILES notation for 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane?
The canonical SMILES for 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane is C1COCCOCCSCCSCCOCCO1.
What is the InChIKey of 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane?
The InChIKey is YPWJPPTWZSDQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S2/c1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1/h1-12H2.
What are the key properties of 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane?
1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane has a molecular weight of 296.45 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane is sourced from PubChem (CID 5250405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).