tert-butyl(methyl)phosphane

C5H13P — CID 16687903

IUPACtert-butyl(methyl)phosphane
SMILESCPC(C)(C)C
InChIInChI=1S/C5H13P/c1-5(2,3)6-4/h6H,1-4H3
InChIKeyZDQSBZHWCMBILH-UHFFFAOYSA-N
MW104.13 g/mol
LogP2.09
Rot. Bonds

About tert-butyl(methyl)phosphane

tert-butyl(methyl)phosphane (PubChem CID 16687903) has the molecular formula C5H13P and a molecular weight of 104.13 g/mol. Its IUPAC name is tert-butyl(methyl)phosphane.

Molecular Properties

Compound Nametert-butyl(methyl)phosphane
PubChem CID16687903
Molecular FormulaC5H13P
Molecular Weight104.13 g/mol
Exact Mass104.08
IUPAC Nametert-butyl(methyl)phosphane
SMILESCPC(C)(C)C
InChIInChI=1S/C5H13P/c1-5(2,3)6-4/h6H,1-4H3
InChIKeyZDQSBZHWCMBILH-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-Butylphosphine
CID 123165
Phosphine, bis(1,1-dimethylethyl)-
CID 136643
Di-i-propylphosphine
CID 536496
Methyl tert-butylchlorophosphine
CID 12501800
Dipropylphosphine
CID 12057559
t-Butyl-isopropyl phosphine
CID 5364950
Tert-butyl-dimethyl-sulfanylidene-lambda5-phosphane
CID 20634565
Tri-t-butylphosphonium
CID 4060964
t-Butyl dimethyl phosphine borane
CID 11355501
Tert-butyldimethylphosphine
CID 11355502
Lithium tert-butylphosphanide
CID 12825337
Chloro-tert-butylphosphine
CID 16688342

Frequently Asked Questions

What is the IUPAC name of tert-butyl(methyl)phosphane?
The IUPAC name of tert-butyl(methyl)phosphane (CID 16687903) is tert-butyl(methyl)phosphane.
What is the SMILES notation for tert-butyl(methyl)phosphane?
The canonical SMILES for tert-butyl(methyl)phosphane is CPC(C)(C)C.
What is the InChIKey of tert-butyl(methyl)phosphane?
The InChIKey is ZDQSBZHWCMBILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13P/c1-5(2,3)6-4/h6H,1-4H3.
What are the key properties of tert-butyl(methyl)phosphane?
tert-butyl(methyl)phosphane has a molecular weight of 104.13 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methyl)phosphane is sourced from PubChem (CID 16687903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).