15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane

C16H20OS4 — CID 14508427

IUPAC15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane
SMILESc1ccc(C2OC3(CC24SCCCS4)SCCCS3)cc1
InChIInChI=1S/C16H20OS4/c1-2-6-13(7-3-1)14-15(18-8-4-9-19-15)12-16(17-14)20-10-5-11-21-16/h1-3,6-7,14H,4-5,8-12H2
InChIKeyKNOBIEQNCGTLJO-UHFFFAOYSA-N
MW356.60 g/mol
LogP5.24
Rot. Bonds1

About 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane

15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane (PubChem CID 14508427) has the molecular formula C16H20OS4 and a molecular weight of 356.60 g/mol. Its IUPAC name is 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane
PubChem CID14508427
Molecular FormulaC16H20OS4
Molecular Weight356.60 g/mol
Exact Mass356.04
IUPAC Name15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane
SMILESc1ccc(C2OC3(CC24SCCCS4)SCCCS3)cc1
InChIInChI=1S/C16H20OS4/c1-2-6-13(7-3-1)14-15(18-8-4-9-19-15)12-16(17-14)20-10-5-11-21-16/h1-3,6-7,14H,4-5,8-12H2
InChIKeyKNOBIEQNCGTLJO-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane?
The IUPAC name of 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane (CID 14508427) is 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane?
The canonical SMILES for 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane is c1ccc(C2OC3(CC24SCCCS4)SCCCS3)cc1.
What is the InChIKey of 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane?
The InChIKey is KNOBIEQNCGTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS4/c1-2-6-13(7-3-1)14-15(18-8-4-9-19-15)12-16(17-14)20-10-5-11-21-16/h1-3,6-7,14H,4-5,8-12H2.
What are the key properties of 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane?
15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane has a molecular weight of 356.60 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-14-oxa-1,5,9,13-tetrathiadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 14508427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).