1-tert-butylsulfanylundecan-3-yl phenyltellanylformate

C22H36O2STe — CID 10814990

IUPAC1-tert-butylsulfanylundecan-3-yl phenyltellanylformate
SMILESCCCCCCCCC(CCSC(C)(C)C)OC(=O)[Te]c1ccccc1
InChIInChI=1S/C22H36O2STe/c1-5-6-7-8-9-11-14-19(17-18-25-22(2,3)4)24-21(23)26-20-15-12-10-13-16-20/h10,12-13,15-16,19H,5-9,11,14,17-18H2,1-4H3
InChIKeyDAMNSUGJGGOPCL-UHFFFAOYSA-N
MW492.20 g/mol
LogP6.19
Rot. Bonds13

About 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate

1-tert-butylsulfanylundecan-3-yl phenyltellanylformate (PubChem CID 10814990) has the molecular formula C22H36O2STe and a molecular weight of 492.20 g/mol. Its IUPAC name is 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate.

Molecular Properties

Compound Name1-tert-butylsulfanylundecan-3-yl phenyltellanylformate
PubChem CID10814990
Molecular FormulaC22H36O2STe
Molecular Weight492.20 g/mol
Exact Mass494.15
IUPAC Name1-tert-butylsulfanylundecan-3-yl phenyltellanylformate
SMILESCCCCCCCCC(CCSC(C)(C)C)OC(=O)[Te]c1ccccc1
InChIInChI=1S/C22H36O2STe/c1-5-6-7-8-9-11-14-19(17-18-25-22(2,3)4)24-21(23)26-20-15-12-10-13-16-20/h10,12-13,15-16,19H,5-9,11,14,17-18H2,1-4H3
InChIKeyDAMNSUGJGGOPCL-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.20
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate?
The IUPAC name of 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate (CID 10814990) is 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate.
What is the SMILES notation for 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate?
The canonical SMILES for 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate is CCCCCCCCC(CCSC(C)(C)C)OC(=O)[Te]c1ccccc1.
What is the InChIKey of 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate?
The InChIKey is DAMNSUGJGGOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2STe/c1-5-6-7-8-9-11-14-19(17-18-25-22(2,3)4)24-21(23)26-20-15-12-10-13-16-20/h10,12-13,15-16,19H,5-9,11,14,17-18H2,1-4H3.
What are the key properties of 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate?
1-tert-butylsulfanylundecan-3-yl phenyltellanylformate has a molecular weight of 492.20 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylundecan-3-yl phenyltellanylformate is sourced from PubChem (CID 10814990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).