tert-butyl(propan-2-yl)phosphane

C7H17P — CID 5364950

IUPACtert-butyl(propan-2-yl)phosphane
SMILESCC(C)PC(C)(C)C
InChIInChI=1S/C7H17P/c1-6(2)8-7(3,4)5/h6,8H,1-5H3
InChIKeyLXEPFXNKXVLJCN-UHFFFAOYSA-N
MW132.19 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl(propan-2-yl)phosphane

tert-butyl(propan-2-yl)phosphane (PubChem CID 5364950) has the molecular formula C7H17P and a molecular weight of 132.19 g/mol. Its IUPAC name is tert-butyl(propan-2-yl)phosphane.

Molecular Properties

Compound Nametert-butyl(propan-2-yl)phosphane
PubChem CID5364950
Molecular FormulaC7H17P
Molecular Weight132.19 g/mol
Exact Mass132.11
IUPAC Nametert-butyl(propan-2-yl)phosphane
SMILESCC(C)PC(C)(C)C
InChIInChI=1S/C7H17P/c1-6(2)8-7(3,4)5/h6,8H,1-5H3
InChIKeyLXEPFXNKXVLJCN-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 52.87
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 tert-butyl(propan-2-yl)phosphane?
The IUPAC name of tert-butyl(propan-2-yl)phosphane (CID 5364950) is tert-butyl(propan-2-yl)phosphane.
What is the SMILES notation for tert-butyl(propan-2-yl)phosphane?
The canonical SMILES for tert-butyl(propan-2-yl)phosphane is CC(C)PC(C)(C)C.
What is the InChIKey of tert-butyl(propan-2-yl)phosphane?
The InChIKey is LXEPFXNKXVLJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17P/c1-6(2)8-7(3,4)5/h6,8H,1-5H3.
What are the key properties of tert-butyl(propan-2-yl)phosphane?
tert-butyl(propan-2-yl)phosphane has a molecular weight of 132.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(propan-2-yl)phosphane is sourced from PubChem (CID 5364950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).