[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane

C28H40NOP — CID 68796784

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane
SMILESCCC(C)(CP(c1c(C)cccc1C)c1c(C)cccc1C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C28H40NOP/c1-10-28(9,26-29-23(17-30-26)27(6,7)8)18-31(24-19(2)13-11-14-20(24)3)25-21(4)15-12-16-22(25)5/h11-16,23H,10,17-18H2,1-9H3/t23-,28?/m1/s1
InChIKeyOEIHSDFBJIVJEV-YFIOFSHDSA-N
MW437.61 g/mol
LogP6.61
Rot. Bonds6

About [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane (PubChem CID 68796784) has the molecular formula C28H40NOP and a molecular weight of 437.61 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane
PubChem CID68796784
Molecular FormulaC28H40NOP
Molecular Weight437.61 g/mol
Exact Mass437.28
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane
SMILESCCC(C)(CP(c1c(C)cccc1C)c1c(C)cccc1C)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C28H40NOP/c1-10-28(9,26-29-23(17-30-26)27(6,7)8)18-31(24-19(2)13-11-14-20(24)3)25-21(4)15-12-16-22(25)5/h11-16,23H,10,17-18H2,1-9H3/t23-,28?/m1/s1
InChIKeyOEIHSDFBJIVJEV-YFIOFSHDSA-N
XLogP6.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 56.61
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 [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane (CID 68796784) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane is CCC(C)(CP(c1c(C)cccc1C)c1c(C)cccc1C)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane?
The InChIKey is OEIHSDFBJIVJEV-YFIOFSHDSA-N. The full InChI is InChI=1S/C28H40NOP/c1-10-28(9,26-29-23(17-30-26)27(6,7)8)18-31(24-19(2)13-11-14-20(24)3)25-21(4)15-12-16-22(25)5/h11-16,23H,10,17-18H2,1-9H3/t23-,28?/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane has a molecular weight of 437.61 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbutyl]-bis(2,6-dimethylphenyl)phosphane is sourced from PubChem (CID 68796784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).