benzyl-tert-butyl-chlorophosphane

C11H16ClP — CID 546136

IUPACbenzyl-tert-butyl-chlorophosphane
SMILESCC(C)(C)P(Cl)Cc1ccccc1
InChIInChI=1S/C11H16ClP/c1-11(2,3)13(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUSOJIPQETSRWDN-UHFFFAOYSA-N
MW214.68 g/mol
LogP4.62
Rot. Bonds2

About benzyl-tert-butyl-chlorophosphane

benzyl-tert-butyl-chlorophosphane (PubChem CID 546136) has the molecular formula C11H16ClP and a molecular weight of 214.68 g/mol. Its IUPAC name is benzyl-tert-butyl-chlorophosphane.

Molecular Properties

Compound Namebenzyl-tert-butyl-chlorophosphane
PubChem CID546136
Molecular FormulaC11H16ClP
Molecular Weight214.68 g/mol
Exact Mass214.07
IUPAC Namebenzyl-tert-butyl-chlorophosphane
SMILESCC(C)(C)P(Cl)Cc1ccccc1
InChIInChI=1S/C11H16ClP/c1-11(2,3)13(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUSOJIPQETSRWDN-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-tert-butyl-chlorophosphane?
The IUPAC name of benzyl-tert-butyl-chlorophosphane (CID 546136) is benzyl-tert-butyl-chlorophosphane.
What is the SMILES notation for benzyl-tert-butyl-chlorophosphane?
The canonical SMILES for benzyl-tert-butyl-chlorophosphane is CC(C)(C)P(Cl)Cc1ccccc1.
What is the InChIKey of benzyl-tert-butyl-chlorophosphane?
The InChIKey is USOJIPQETSRWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClP/c1-11(2,3)13(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of benzyl-tert-butyl-chlorophosphane?
benzyl-tert-butyl-chlorophosphane has a molecular weight of 214.68 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tert-butyl-chlorophosphane is sourced from PubChem (CID 546136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).