ditert-butyl(propan-2-yl)phosphane

C11H25P — CID 545348

IUPACditert-butyl(propan-2-yl)phosphane
SMILESCC(C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25P/c1-9(2)12(10(3,4)5)11(6,7)8/h9H,1-8H3
InChIKeyQXTCJLPZCUKMDX-UHFFFAOYSA-N
MW188.29 g/mol
LogP4.47
Rot. Bonds1

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

ditert-butyl(propan-2-yl)phosphane (PubChem CID 545348) has the molecular formula C11H25P and a molecular weight of 188.29 g/mol. Its IUPAC name is ditert-butyl(propan-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl(propan-2-yl)phosphane
PubChem CID545348
Molecular FormulaC11H25P
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Nameditert-butyl(propan-2-yl)phosphane
SMILESCC(C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25P/c1-9(2)12(10(3,4)5)11(6,7)8/h9H,1-8H3
InChIKeyQXTCJLPZCUKMDX-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ditert-butyl(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(propan-2-yl)phosphane?
The IUPAC name of ditert-butyl(propan-2-yl)phosphane (CID 545348) is ditert-butyl(propan-2-yl)phosphane.
What is the SMILES notation for ditert-butyl(propan-2-yl)phosphane?
The canonical SMILES for ditert-butyl(propan-2-yl)phosphane is CC(C)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(propan-2-yl)phosphane?
The InChIKey is QXTCJLPZCUKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P/c1-9(2)12(10(3,4)5)11(6,7)8/h9H,1-8H3.
What are the key properties of ditert-butyl(propan-2-yl)phosphane?
ditert-butyl(propan-2-yl)phosphane has a molecular weight of 188.29 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(propan-2-yl)phosphane is sourced from PubChem (CID 545348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).