ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane

C19H32OP2 — CID 89106477

IUPACditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane
SMILESCC(C)(C)P1c2ccccc2O[C@H]1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H32OP2/c1-17(2,3)21-15-13-11-10-12-14(15)20-16(21)22(18(4,5)6)19(7,8)9/h10-13,16H,1-9H3/t16-,21?/m1/s1
InChIKeyHNCDTVVVDMNJRQ-UJONTBEJSA-N
MW338.41 g/mol
LogP6.35
Rot. Bonds1

About ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane

ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane (PubChem CID 89106477) has the molecular formula C19H32OP2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane
PubChem CID89106477
Molecular FormulaC19H32OP2
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Nameditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane
SMILESCC(C)(C)P1c2ccccc2O[C@H]1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H32OP2/c1-17(2,3)21-15-13-11-10-12-14(15)20-16(21)22(18(4,5)6)19(7,8)9/h10-13,16H,1-9H3/t16-,21?/m1/s1
InChIKeyHNCDTVVVDMNJRQ-UJONTBEJSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane?
The IUPAC name of ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane (CID 89106477) is ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane.
What is the SMILES notation for ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane?
The canonical SMILES for ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane is CC(C)(C)P1c2ccccc2O[C@H]1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane?
The InChIKey is HNCDTVVVDMNJRQ-UJONTBEJSA-N. The full InChI is InChI=1S/C19H32OP2/c1-17(2,3)21-15-13-11-10-12-14(15)20-16(21)22(18(4,5)6)19(7,8)9/h10-13,16H,1-9H3/t16-,21?/m1/s1.
What are the key properties of ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane?
ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane has a molecular weight of 338.41 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(2S)-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]phosphane is sourced from PubChem (CID 89106477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).