1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate

C23H38O2STe — CID 10744164

IUPAC1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate
SMILESCCCCCCCCC(CCCSC(C)(C)C)OC(=O)[Te]c1ccccc1
InChIInChI=1S/C23H38O2STe/c1-5-6-7-8-9-11-15-20(16-14-19-26-23(2,3)4)25-22(24)27-21-17-12-10-13-18-21/h10,12-13,17-18,20H,5-9,11,14-16,19H2,1-4H3
InChIKeyBFOQFFIRIBBVRB-UHFFFAOYSA-N
MW506.22 g/mol
LogP6.58
Rot. Bonds14

About 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate

1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate (PubChem CID 10744164) has the molecular formula C23H38O2STe and a molecular weight of 506.22 g/mol. Its IUPAC name is 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate.

Molecular Properties

Compound Name1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate
PubChem CID10744164
Molecular FormulaC23H38O2STe
Molecular Weight506.22 g/mol
Exact Mass508.17
IUPAC Name1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate
SMILESCCCCCCCCC(CCCSC(C)(C)C)OC(=O)[Te]c1ccccc1
InChIInChI=1S/C23H38O2STe/c1-5-6-7-8-9-11-15-20(16-14-19-26-23(2,3)4)25-22(24)27-21-17-12-10-13-18-21/h10,12-13,17-18,20H,5-9,11,14-16,19H2,1-4H3
InChIKeyBFOQFFIRIBBVRB-UHFFFAOYSA-N
XLogP6.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.22
LogP ≤ 56.58
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-butylsulfanyldodecan-4-yl phenyltellanylformate?
The IUPAC name of 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate (CID 10744164) is 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate.
What is the SMILES notation for 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate?
The canonical SMILES for 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate is CCCCCCCCC(CCCSC(C)(C)C)OC(=O)[Te]c1ccccc1.
What is the InChIKey of 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate?
The InChIKey is BFOQFFIRIBBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2STe/c1-5-6-7-8-9-11-15-20(16-14-19-26-23(2,3)4)25-22(24)27-21-17-12-10-13-18-21/h10,12-13,17-18,20H,5-9,11,14-16,19H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate?
1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate has a molecular weight of 506.22 g/mol, XLogP of 6.58, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyldodecan-4-yl phenyltellanylformate is sourced from PubChem (CID 10744164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).