(2,4-ditert-butylphenoxy)-dimethylphosphane

C16H27OP — CID 19091733

IUPAC(2,4-ditert-butylphenoxy)-dimethylphosphane
SMILESCP(C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C16H27OP/c1-15(2,3)12-9-10-14(17-18(7)8)13(11-12)16(4,5)6/h9-11H,1-8H3
InChIKeyZECYVOMSMHWPGM-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.32
Rot. Bonds2

About (2,4-ditert-butylphenoxy)-dimethylphosphane

(2,4-ditert-butylphenoxy)-dimethylphosphane (PubChem CID 19091733) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is (2,4-ditert-butylphenoxy)-dimethylphosphane.

Molecular Properties

Compound Name(2,4-ditert-butylphenoxy)-dimethylphosphane
PubChem CID19091733
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2,4-ditert-butylphenoxy)-dimethylphosphane
SMILESCP(C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C16H27OP/c1-15(2,3)12-9-10-14(17-18(7)8)13(11-12)16(4,5)6/h9-11H,1-8H3
InChIKeyZECYVOMSMHWPGM-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
(2,4-ditert-butylphenoxy)-methylphosphane
CID 23594675
(2,4-ditert-butylphenyl) dihydrogen phosphate;(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159327100
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
[(2,4-ditert-butylphenoxy)-hydroxyphosphanyl]oxy-oxido-oxophosphanium
CID 172860673
tris(2,4-ditert-butylphenoxy)-sulfanylidene-λ5-phosphane
CID 175673047
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenoxy)-dimethylphosphane?
The IUPAC name of (2,4-ditert-butylphenoxy)-dimethylphosphane (CID 19091733) is (2,4-ditert-butylphenoxy)-dimethylphosphane.
What is the SMILES notation for (2,4-ditert-butylphenoxy)-dimethylphosphane?
The canonical SMILES for (2,4-ditert-butylphenoxy)-dimethylphosphane is CP(C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (2,4-ditert-butylphenoxy)-dimethylphosphane?
The InChIKey is ZECYVOMSMHWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-15(2,3)12-9-10-14(17-18(7)8)13(11-12)16(4,5)6/h9-11H,1-8H3.
What are the key properties of (2,4-ditert-butylphenoxy)-dimethylphosphane?
(2,4-ditert-butylphenoxy)-dimethylphosphane has a molecular weight of 266.36 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenoxy)-dimethylphosphane is sourced from PubChem (CID 19091733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).