(1R,2S)-1-tert-butyl-2-ethenylphosphirane

C8H15P — CID 12930743

IUPAC(1R,2S)-1-tert-butyl-2-ethenylphosphirane
SMILESC=C[C@H]1C[P@@]1C(C)(C)C
InChIInChI=1S/C8H15P/c1-5-7-6-9(7)8(2,3)4/h5,7H,1,6H2,2-4H3/t7-,9+/m0/s1
InChIKeyXLPTZSFRYIBCGT-IONNQARKSA-N
MW142.18 g/mol
LogP2.84
Rot. Bonds1

About (1R,2S)-1-tert-butyl-2-ethenylphosphirane

(1R,2S)-1-tert-butyl-2-ethenylphosphirane (PubChem CID 12930743) has the molecular formula C8H15P and a molecular weight of 142.18 g/mol. Its IUPAC name is (1R,2S)-1-tert-butyl-2-ethenylphosphirane.

Molecular Properties

Compound Name(1R,2S)-1-tert-butyl-2-ethenylphosphirane
PubChem CID12930743
Molecular FormulaC8H15P
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(1R,2S)-1-tert-butyl-2-ethenylphosphirane
SMILESC=C[C@H]1C[P@@]1C(C)(C)C
InChIInChI=1S/C8H15P/c1-5-7-6-9(7)8(2,3)4/h5,7H,1,6H2,2-4H3/t7-,9+/m0/s1
InChIKeyXLPTZSFRYIBCGT-IONNQARKSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-tert-butyl-2-ethenylphosphirane?
The IUPAC name of (1R,2S)-1-tert-butyl-2-ethenylphosphirane (CID 12930743) is (1R,2S)-1-tert-butyl-2-ethenylphosphirane.
What is the SMILES notation for (1R,2S)-1-tert-butyl-2-ethenylphosphirane?
The canonical SMILES for (1R,2S)-1-tert-butyl-2-ethenylphosphirane is C=C[C@H]1C[P@@]1C(C)(C)C.
What is the InChIKey of (1R,2S)-1-tert-butyl-2-ethenylphosphirane?
The InChIKey is XLPTZSFRYIBCGT-IONNQARKSA-N. The full InChI is InChI=1S/C8H15P/c1-5-7-6-9(7)8(2,3)4/h5,7H,1,6H2,2-4H3/t7-,9+/m0/s1.
What are the key properties of (1R,2S)-1-tert-butyl-2-ethenylphosphirane?
(1R,2S)-1-tert-butyl-2-ethenylphosphirane has a molecular weight of 142.18 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-tert-butyl-2-ethenylphosphirane is sourced from PubChem (CID 12930743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).