3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one

C34H58O8P4Si — CID 159300153

IUPAC3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(=O)CC(P(C)(C)=O)P(C)(C)=O)cc1.CP(C)(=O)C(CC(=O)c1ccc(CO)cc1)P(C)(C)=O
InChIInChI=1S/C20H36O4P2Si.C14H22O4P2/c1-20(2,3)27(8,9)24-15-16-10-12-17(13-11-16)18(21)14-19(25(4,5)22)26(6,7)23;1-19(2,17)14(20(3,4)18)9-13(16)12-7-5-11(10-15)6-8-12/h10-13,19H,14-15H2,1-9H3;5-8,14-15H,9-10H2,1-4H3
InChIKeyLBFPOIORYBSVHA-UHFFFAOYSA-N
MW746.81 g/mol
LogP9.68
Rot. Bonds14

About 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one

3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one (PubChem CID 159300153) has the molecular formula C34H58O8P4Si and a molecular weight of 746.81 g/mol. Its IUPAC name is 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one.

Molecular Properties

Compound Name3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one
PubChem CID159300153
Molecular FormulaC34H58O8P4Si
Molecular Weight746.81 g/mol
Exact Mass746.29
IUPAC Name3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(=O)CC(P(C)(C)=O)P(C)(C)=O)cc1.CP(C)(=O)C(CC(=O)c1ccc(CO)cc1)P(C)(C)=O
InChIInChI=1S/C20H36O4P2Si.C14H22O4P2/c1-20(2,3)27(8,9)24-15-16-10-12-17(13-11-16)18(21)14-19(25(4,5)22)26(6,7)23;1-19(2,17)14(20(3,4)18)9-13(16)12-7-5-11(10-15)6-8-12/h10-13,19H,14-15H2,1-9H3;5-8,14-15H,9-10H2,1-4H3
InChIKeyLBFPOIORYBSVHA-UHFFFAOYSA-N
XLogP9.68
TPSA131.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.81
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methoxy-N-methylbenzamide
CID 89407391
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] diethyl phosphate
CID 59859472
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
CID 67983384
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
CID 23302942
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one?
The IUPAC name of 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one (CID 159300153) is 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one.
What is the SMILES notation for 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one?
The canonical SMILES for 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one is CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)CC(P(C)(C)=O)P(C)(C)=O)cc1.CP(C)(=O)C(CC(=O)c1ccc(CO)cc1)P(C)(C)=O.
What is the InChIKey of 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one?
The InChIKey is LBFPOIORYBSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4P2Si.C14H22O4P2/c1-20(2,3)27(8,9)24-15-16-10-12-17(13-11-16)18(21)14-19(25(4,5)22)26(6,7)23;1-19(2,17)14(20(3,4)18)9-13(16)12-7-5-11(10-15)6-8-12/h10-13,19H,14-15H2,1-9H3;5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one?
3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one has a molecular weight of 746.81 g/mol, XLogP of 9.68, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethylphosphoryl)-1-[4-(hydroxymethyl)phenyl]propan-1-one;1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3,3-bis(dimethylphosphoryl)propan-1-one is sourced from PubChem (CID 159300153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).