bromo-ditert-butyl-methylidene-λ5-phosphane

C9H20BrP — CID 12603442

IUPACbromo-ditert-butyl-methylidene-λ5-phosphane
SMILESC=P(Br)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H20BrP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3
InChIKeyKGYMYPMVSQGSTO-UHFFFAOYSA-N
MW239.14 g/mol
LogP4.34
Rot. Bonds

About bromo-ditert-butyl-methylidene-λ5-phosphane

bromo-ditert-butyl-methylidene-λ5-phosphane (PubChem CID 12603442) has the molecular formula C9H20BrP and a molecular weight of 239.14 g/mol. Its IUPAC name is bromo-ditert-butyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-ditert-butyl-methylidene-λ5-phosphane
PubChem CID12603442
Molecular FormulaC9H20BrP
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Namebromo-ditert-butyl-methylidene-λ5-phosphane
SMILESC=P(Br)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H20BrP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3
InChIKeyKGYMYPMVSQGSTO-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 54.34
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 bromo-ditert-butyl-methylidene-λ5-phosphane?
The IUPAC name of bromo-ditert-butyl-methylidene-λ5-phosphane (CID 12603442) is bromo-ditert-butyl-methylidene-λ5-phosphane.
What is the SMILES notation for bromo-ditert-butyl-methylidene-λ5-phosphane?
The canonical SMILES for bromo-ditert-butyl-methylidene-λ5-phosphane is C=P(Br)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of bromo-ditert-butyl-methylidene-λ5-phosphane?
The InChIKey is KGYMYPMVSQGSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3.
What are the key properties of bromo-ditert-butyl-methylidene-λ5-phosphane?
bromo-ditert-butyl-methylidene-λ5-phosphane has a molecular weight of 239.14 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ditert-butyl-methylidene-λ5-phosphane is sourced from PubChem (CID 12603442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).