1-tert-butyl-2-ethylphosphirane

C8H17P — CID 13063134

IUPAC1-tert-butyl-2-ethylphosphirane
SMILESCCC1CP1C(C)(C)C
InChIInChI=1S/C8H17P/c1-5-7-6-9(7)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyOBYGXOWBNFNDPB-UHFFFAOYSA-N
MW144.20 g/mol
LogP3.06
Rot. Bonds1

About 1-tert-butyl-2-ethylphosphirane

1-tert-butyl-2-ethylphosphirane (PubChem CID 13063134) has the molecular formula C8H17P and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-tert-butyl-2-ethylphosphirane.

Molecular Properties

Compound Name1-tert-butyl-2-ethylphosphirane
PubChem CID13063134
Molecular FormulaC8H17P
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name1-tert-butyl-2-ethylphosphirane
SMILESCCC1CP1C(C)(C)C
InChIInChI=1S/C8H17P/c1-5-7-6-9(7)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyOBYGXOWBNFNDPB-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 53.06
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 1-tert-butyl-2-ethylphosphirane?
The IUPAC name of 1-tert-butyl-2-ethylphosphirane (CID 13063134) is 1-tert-butyl-2-ethylphosphirane.
What is the SMILES notation for 1-tert-butyl-2-ethylphosphirane?
The canonical SMILES for 1-tert-butyl-2-ethylphosphirane is CCC1CP1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethylphosphirane?
The InChIKey is OBYGXOWBNFNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17P/c1-5-7-6-9(7)8(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-2-ethylphosphirane?
1-tert-butyl-2-ethylphosphirane has a molecular weight of 144.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethylphosphirane is sourced from PubChem (CID 13063134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).