2-tert-butyl-3-methyl-1-phenylphosphirene

C13H17P — CID 15437144

IUPAC2-tert-butyl-3-methyl-1-phenylphosphirene
SMILESCC1=C(C(C)(C)C)P1c1ccccc1
InChIInChI=1S/C13H17P/c1-10-12(13(2,3)4)14(10)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyOPKSHJZHLCMSDH-UHFFFAOYSA-N
MW204.25 g/mol
LogP4.09
Rot. Bonds1

About 2-tert-butyl-3-methyl-1-phenylphosphirene

2-tert-butyl-3-methyl-1-phenylphosphirene (PubChem CID 15437144) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-1-phenylphosphirene.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-1-phenylphosphirene
PubChem CID15437144
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-tert-butyl-3-methyl-1-phenylphosphirene
SMILESCC1=C(C(C)(C)C)P1c1ccccc1
InChIInChI=1S/C13H17P/c1-10-12(13(2,3)4)14(10)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyOPKSHJZHLCMSDH-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 54.09
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 2-tert-butyl-3-methyl-1-phenylphosphirene?
The IUPAC name of 2-tert-butyl-3-methyl-1-phenylphosphirene (CID 15437144) is 2-tert-butyl-3-methyl-1-phenylphosphirene.
What is the SMILES notation for 2-tert-butyl-3-methyl-1-phenylphosphirene?
The canonical SMILES for 2-tert-butyl-3-methyl-1-phenylphosphirene is CC1=C(C(C)(C)C)P1c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-methyl-1-phenylphosphirene?
The InChIKey is OPKSHJZHLCMSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17P/c1-10-12(13(2,3)4)14(10)11-8-6-5-7-9-11/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-3-methyl-1-phenylphosphirene?
2-tert-butyl-3-methyl-1-phenylphosphirene has a molecular weight of 204.25 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-1-phenylphosphirene is sourced from PubChem (CID 15437144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).