distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)

C30H46O8P2Sr2 — CID 161172896

IUPACdistrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
SMILESCC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Sr+2].[Sr+2]
InChIInChI=1S/2C15H25O4P.2Sr/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);;/q;;2*+2/p-4
InChIKeyURKQEOOUKGOKMX-UHFFFAOYSA-J
MW771.88 g/mol
LogP4.04
Rot. Bonds4

About distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)

distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) (PubChem CID 161172896) has the molecular formula C30H46O8P2Sr2 and a molecular weight of 771.88 g/mol. Its IUPAC name is distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol).

Molecular Properties

Compound Namedistrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
PubChem CID161172896
Molecular FormulaC30H46O8P2Sr2
Molecular Weight771.88 g/mol
Exact Mass772.08
IUPAC Namedistrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
SMILESCC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Sr+2].[Sr+2]
InChIInChI=1S/2C15H25O4P.2Sr/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);;/q;;2*+2/p-4
InChIKeyURKQEOOUKGOKMX-UHFFFAOYSA-J
XLogP4.04
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500771.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 157482776
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
CID 15752109
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502
disodium;2,6-ditert-butyl-4-(3-phosphonatopropyl)phenol
CID 172808493
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 87833588
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457

Frequently Asked Questions

What is the IUPAC name of distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The IUPAC name of distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) (CID 161172896) is distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol).
What is the SMILES notation for distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The canonical SMILES for distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) is CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Sr+2].[Sr+2].
What is the InChIKey of distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The InChIKey is URKQEOOUKGOKMX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H25O4P.2Sr/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);;/q;;2*+2/p-4.
What are the key properties of distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) has a molecular weight of 771.88 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) is sourced from PubChem (CID 161172896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).