2,5-ditert-butyl-3,4-dimethyl-2H-phosphole

C14H25P — CID 139104236

IUPAC2,5-ditert-butyl-3,4-dimethyl-2H-phosphole
SMILESCC1=C(C)C(C(C)(C)C)P=C1C(C)(C)C
InChIInChI=1S/C14H25P/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5/h11H,1-8H3
InChIKeySSTPFBASWXMJEN-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.92
Rot. Bonds

About 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole

2,5-ditert-butyl-3,4-dimethyl-2H-phosphole (PubChem CID 139104236) has the molecular formula C14H25P and a molecular weight of 224.33 g/mol. Its IUPAC name is 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole.

Molecular Properties

Compound Name2,5-ditert-butyl-3,4-dimethyl-2H-phosphole
PubChem CID139104236
Molecular FormulaC14H25P
Molecular Weight224.33 g/mol
Exact Mass224.17
IUPAC Name2,5-ditert-butyl-3,4-dimethyl-2H-phosphole
SMILESCC1=C(C)C(C(C)(C)C)P=C1C(C)(C)C
InChIInChI=1S/C14H25P/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5/h11H,1-8H3
InChIKeySSTPFBASWXMJEN-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(2,4,5-tritert-butyl-1,3-diphosphol-2-yl)stannane
CID 86074512
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CID 59262985
1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
CID 102260894
2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole
CID 22971709
2,5-ditert-butyl-2H-phosphole
CID 18913936
3-tert-butyl-4,5,6-trimethylpyridazine
CID 58250590
2,5-ditert-butyl-3,6-dimethylpyrazine
CID 143714636
2,3,4,5,6-pentatert-butyl-1-methyl-5-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 175370406
4,5,6-tritert-butyltriphosphinine
CID 86056990
1-tert-butyl-3-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
CID 141043788
2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine
CID 67592209
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CID 59908870

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole?
The IUPAC name of 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole (CID 139104236) is 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole.
What is the SMILES notation for 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole?
The canonical SMILES for 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole is CC1=C(C)C(C(C)(C)C)P=C1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole?
The InChIKey is SSTPFBASWXMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25P/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5/h11H,1-8H3.
What are the key properties of 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole?
2,5-ditert-butyl-3,4-dimethyl-2H-phosphole has a molecular weight of 224.33 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3,4-dimethyl-2H-phosphole is sourced from PubChem (CID 139104236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).