3,3-dimethylbutan-2-ylphosphane

C6H15P — CID 57029329

IUPAC3,3-dimethylbutan-2-ylphosphane
SMILESCC(P)C(C)(C)C
InChIInChI=1S/C6H15P/c1-5(7)6(2,3)4/h5H,7H2,1-4H3
InChIKeyPPEAIGOFYKUDCQ-UHFFFAOYSA-N
MW118.16 g/mol
LogP2.30
Rot. Bonds

About 3,3-dimethylbutan-2-ylphosphane

3,3-dimethylbutan-2-ylphosphane (PubChem CID 57029329) has the molecular formula C6H15P and a molecular weight of 118.16 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-ylphosphane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-ylphosphane
PubChem CID57029329
Molecular FormulaC6H15P
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name3,3-dimethylbutan-2-ylphosphane
SMILESCC(P)C(C)(C)C
InChIInChI=1S/C6H15P/c1-5(7)6(2,3)4/h5H,7H2,1-4H3
InChIKeyPPEAIGOFYKUDCQ-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 52.30
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 3,3-dimethylbutan-2-ylphosphane?
The IUPAC name of 3,3-dimethylbutan-2-ylphosphane (CID 57029329) is 3,3-dimethylbutan-2-ylphosphane.
What is the SMILES notation for 3,3-dimethylbutan-2-ylphosphane?
The canonical SMILES for 3,3-dimethylbutan-2-ylphosphane is CC(P)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-ylphosphane?
The InChIKey is PPEAIGOFYKUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P/c1-5(7)6(2,3)4/h5H,7H2,1-4H3.
What are the key properties of 3,3-dimethylbutan-2-ylphosphane?
3,3-dimethylbutan-2-ylphosphane has a molecular weight of 118.16 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-ylphosphane is sourced from PubChem (CID 57029329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).