4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol

C28H50O7P2 — CID 14838595

IUPAC4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol
SMILESCC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C28H50O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-21,29H,1-14H3
InChIKeyLVPCHGWFRQEQPE-UHFFFAOYSA-N
MW560.65 g/mol
LogP9.37
Rot. Bonds11

About 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol

4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol (PubChem CID 14838595) has the molecular formula C28H50O7P2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol
PubChem CID14838595
Molecular FormulaC28H50O7P2
Molecular Weight560.65 g/mol
Exact Mass560.30
IUPAC Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol
SMILESCC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C28H50O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-21,29H,1-14H3
InChIKeyLVPCHGWFRQEQPE-UHFFFAOYSA-N
XLogP9.37
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
CID 88941839
(3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-dimethoxyphosphorylpentan-2-one
CID 10024553
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
(3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-dimethoxyphosphorylheptan-2-one
CID 11743861
(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoic acid
CID 173368528
2-butan-2-yloxycarbonyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 173093646
(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium
CID 143106574
copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 157482776
distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 161172896
2-methoxyethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
CID 3090895
2,6-ditert-butyl-4-[di(propan-2-yloxy)phosphorylmethyl-pyridin-3-ylamino]phenol
CID 54354072
2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 3068706

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol (CID 14838595) is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol is CC(C)OP(=O)(OC(C)C)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol?
The InChIKey is LVPCHGWFRQEQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-21,29H,1-14H3.
What are the key properties of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol?
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol has a molecular weight of 560.65 g/mol, XLogP of 9.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 14838595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).