[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate

C20H35O6PSi2 — CID 137328215

IUPAC[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCc1ccccc1CC(C)(C)C(O[SiH2]C)O[SiH2]C
InChIInChI=1S/C20H35O6PSi2/c1-7-13-22-27(21,23-14-8-2)24-16-18-12-10-9-11-17(18)15-20(3,4)19(25-28-5)26-29-6/h7-12,19H,1-2,13-16,28-29H2,3-6H3
InChIKeyWCAXKMMGKGTNBQ-UHFFFAOYSA-N
MW458.64 g/mol
LogP3.91
Rot. Bonds16

About [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate

[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate (PubChem CID 137328215) has the molecular formula C20H35O6PSi2 and a molecular weight of 458.64 g/mol. Its IUPAC name is [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate.

Molecular Properties

Compound Name[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate
PubChem CID137328215
Molecular FormulaC20H35O6PSi2
Molecular Weight458.64 g/mol
Exact Mass458.17
IUPAC Name[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCc1ccccc1CC(C)(C)C(O[SiH2]C)O[SiH2]C
InChIInChI=1S/C20H35O6PSi2/c1-7-13-22-27(21,23-14-8-2)24-16-18-12-10-9-11-17(18)15-20(3,4)19(25-28-5)26-29-6/h7-12,19H,1-2,13-16,28-29H2,3-6H3
InChIKeyWCAXKMMGKGTNBQ-UHFFFAOYSA-N
XLogP3.91
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate?
The IUPAC name of [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate (CID 137328215) is [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate.
What is the SMILES notation for [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate?
The canonical SMILES for [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate is C=CCOP(=O)(OCC=C)OCc1ccccc1CC(C)(C)C(O[SiH2]C)O[SiH2]C.
What is the InChIKey of [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate?
The InChIKey is WCAXKMMGKGTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35O6PSi2/c1-7-13-22-27(21,23-14-8-2)24-16-18-12-10-9-11-17(18)15-20(3,4)19(25-28-5)26-29-6/h7-12,19H,1-2,13-16,28-29H2,3-6H3.
What are the key properties of [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate?
[2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate has a molecular weight of 458.64 g/mol, XLogP of 3.91, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-dimethyl-3,3-bis(methylsilyloxy)propyl]phenyl]methyl bis(prop-2-enyl) phosphate is sourced from PubChem (CID 137328215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).