potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride

C19H34KO4P — CID 173169408

IUPACpotassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
SMILESCCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC.[H-].[K+]
InChIInChI=1S/C19H33O4P.K.H/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8;;/h11-12,20H,9-10,13H2,1-8H3;;/q;+1;-1
InChIKeyJBBXNOYYSRTOAD-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.87
Rot. Bonds6

About potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride

potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride (PubChem CID 173169408) has the molecular formula C19H34KO4P and a molecular weight of 396.55 g/mol. Its IUPAC name is potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride.

Molecular Properties

Compound Namepotassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
PubChem CID173169408
Molecular FormulaC19H34KO4P
Molecular Weight396.55 g/mol
Exact Mass396.18
IUPAC Namepotassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
SMILESCCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC.[H-].[K+]
InChIInChI=1S/C19H33O4P.K.H/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8;;/h11-12,20H,9-10,13H2,1-8H3;;/q;+1;-1
InChIKeyJBBXNOYYSRTOAD-UHFFFAOYSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol
CID 174446624
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502
distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 161172896
copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 157482776
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
CID 15752109
4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
CID 58559829
2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
CID 170064546
bis((3,5-ditert-butyl-4-hydroxybenzoyl)-ethoxyphosphinate);nickel(2+)
CID 159158604
4-[bis(2,4-dimethylphenoxy)phosphorylmethyl]-2,6-ditert-butylphenol
CID 88760648

Frequently Asked Questions

What is the IUPAC name of potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride?
The IUPAC name of potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride (CID 173169408) is potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride.
What is the SMILES notation for potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride?
The canonical SMILES for potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride is CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC.[H-].[K+].
What is the InChIKey of potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride?
The InChIKey is JBBXNOYYSRTOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P.K.H/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8;;/h11-12,20H,9-10,13H2,1-8H3;;/q;+1;-1.
What are the key properties of potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride?
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride has a molecular weight of 396.55 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride is sourced from PubChem (CID 173169408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).