2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide

C33H37BTe — CID 134926300

IUPAC2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide
SMILESC=CC[Te+]1C(C)CCC1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C9H17Te/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-8(2)5-6-9(10)3/h1-20H;4,8-9H,1,5-7H2,2-3H3/q-1;+1
InChIKeyNOBXNXKQSZDOKV-UHFFFAOYSA-N
MW572.07 g/mol
LogP6.31
Rot. Bonds6

About 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide

2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide (PubChem CID 134926300) has the molecular formula C33H37BTe and a molecular weight of 572.07 g/mol. Its IUPAC name is 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide.

Molecular Properties

Compound Name2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide
PubChem CID134926300
Molecular FormulaC33H37BTe
Molecular Weight572.07 g/mol
Exact Mass574.21
IUPAC Name2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide
SMILESC=CC[Te+]1C(C)CCC1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C9H17Te/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-8(2)5-6-9(10)3/h1-20H;4,8-9H,1,5-7H2,2-3H3/q-1;+1
InChIKeyNOBXNXKQSZDOKV-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.07
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide?
The IUPAC name of 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide (CID 134926300) is 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide.
What is the SMILES notation for 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide?
The canonical SMILES for 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide is C=CC[Te+]1C(C)CCC1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide?
The InChIKey is NOBXNXKQSZDOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C9H17Te/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-8(2)5-6-9(10)3/h1-20H;4,8-9H,1,5-7H2,2-3H3/q-1;+1.
What are the key properties of 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide?
2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide has a molecular weight of 572.07 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide is sourced from PubChem (CID 134926300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).