tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane

C18H28N2P2 — CID 129222042

IUPACtert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane
SMILESCP(c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3/t21-,22?/m0/s1
InChIKeyDRZBLHZZDMCPGX-HMTLIYDFSA-N
MW334.38 g/mol
LogP4.70
Rot. Bonds2

About tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane

tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane (PubChem CID 129222042) has the molecular formula C18H28N2P2 and a molecular weight of 334.38 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane
PubChem CID129222042
Molecular FormulaC18H28N2P2
Molecular Weight334.38 g/mol
Exact Mass334.17
IUPAC Nametert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane
SMILESCP(c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3/t21-,22?/m0/s1
InChIKeyDRZBLHZZDMCPGX-HMTLIYDFSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane?
The IUPAC name of tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane (CID 129222042) is tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane is CP(c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane?
The InChIKey is DRZBLHZZDMCPGX-HMTLIYDFSA-N. The full InChI is InChI=1S/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3/t21-,22?/m0/s1.
What are the key properties of tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane?
tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane has a molecular weight of 334.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane is sourced from PubChem (CID 129222042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).