1-oxa-4,7,10,13-tetrathiacyclopentadecane

C10H20OS4 — CID 12872708

IUPAC1-oxa-4,7,10,13-tetrathiacyclopentadecane
SMILESC1CSCCSCCSCCSCCO1
InChIInChI=1S/C10H20OS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2
InChIKeyIDKNEUVCCZNXEF-UHFFFAOYSA-N
MW284.54 g/mol
LogP2.95
Rot. Bonds

About 1-oxa-4,7,10,13-tetrathiacyclopentadecane

1-oxa-4,7,10,13-tetrathiacyclopentadecane (PubChem CID 12872708) has the molecular formula C10H20OS4 and a molecular weight of 284.54 g/mol. Its IUPAC name is 1-oxa-4,7,10,13-tetrathiacyclopentadecane.

Molecular Properties

Compound Name1-oxa-4,7,10,13-tetrathiacyclopentadecane
PubChem CID12872708
Molecular FormulaC10H20OS4
Molecular Weight284.54 g/mol
Exact Mass284.04
IUPAC Name1-oxa-4,7,10,13-tetrathiacyclopentadecane
SMILESC1CSCCSCCSCCSCCO1
InChIInChI=1S/C10H20OS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2
InChIKeyIDKNEUVCCZNXEF-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,7,10,13-tetrathiacyclopentadecane?
The IUPAC name of 1-oxa-4,7,10,13-tetrathiacyclopentadecane (CID 12872708) is 1-oxa-4,7,10,13-tetrathiacyclopentadecane.
What is the SMILES notation for 1-oxa-4,7,10,13-tetrathiacyclopentadecane?
The canonical SMILES for 1-oxa-4,7,10,13-tetrathiacyclopentadecane is C1CSCCSCCSCCSCCO1.
What is the InChIKey of 1-oxa-4,7,10,13-tetrathiacyclopentadecane?
The InChIKey is IDKNEUVCCZNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h1-10H2.
What are the key properties of 1-oxa-4,7,10,13-tetrathiacyclopentadecane?
1-oxa-4,7,10,13-tetrathiacyclopentadecane has a molecular weight of 284.54 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,7,10,13-tetrathiacyclopentadecane is sourced from PubChem (CID 12872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).