2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane

C43H72O8Si2 — CID 123497853

IUPAC2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane
SMILESC=CCOCC(O)COc1ccccc1.CCC.CCC.C[SiH](C)OC(C)(C)[SiH](C)C.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H16O3.2C9H10O2.C7H20OSi2.2C3H8/c1-2-8-14-9-11(13)10-15-12-6-4-3-5-7-12;2*1-2-4-8(5-3-1)10-6-9-7-11-9;1-7(2,9(3)4)8-10(5)6;2*1-3-2/h2-7,11,13H,1,8-10H2;2*1-5,9H,6-7H2;9-10H,1-6H3;2*3H2,1-2H3
InChIKeyBGRUIAOAWSFQCQ-UHFFFAOYSA-N
MW773.21 g/mol
LogP9.18
Rot. Bonds16

About 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane

2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane (PubChem CID 123497853) has the molecular formula C43H72O8Si2 and a molecular weight of 773.21 g/mol. Its IUPAC name is 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane.

Molecular Properties

Compound Name2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane
PubChem CID123497853
Molecular FormulaC43H72O8Si2
Molecular Weight773.21 g/mol
Exact Mass772.48
IUPAC Name2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane
SMILESC=CCOCC(O)COc1ccccc1.CCC.CCC.C[SiH](C)OC(C)(C)[SiH](C)C.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H16O3.2C9H10O2.C7H20OSi2.2C3H8/c1-2-8-14-9-11(13)10-15-12-6-4-3-5-7-12;2*1-2-4-8(5-3-1)10-6-9-7-11-9;1-7(2,9(3)4)8-10(5)6;2*1-3-2/h2-7,11,13H,1,8-10H2;2*1-5,9H,6-7H2;9-10H,1-6H3;2*3H2,1-2H3
InChIKeyBGRUIAOAWSFQCQ-UHFFFAOYSA-N
XLogP9.18
TPSA91.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.21
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-phenoxypropyl) prop-2-enoate;2-(phenoxymethyl)oxirane;propane
CID 91150847
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 118685638
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-3-propoxypropan-2-ol
CID 101202882
1,3-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]propan-2-ol
CID 54276038
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1-[4-[bis(oxiran-2-ylmethyl)amino]phenoxy]-3-prop-2-enoxypropan-2-ol
CID 118345099
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane?
The IUPAC name of 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane (CID 123497853) is 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane.
What is the SMILES notation for 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane?
The canonical SMILES for 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane is C=CCOCC(O)COc1ccccc1.CCC.CCC.C[SiH](C)OC(C)(C)[SiH](C)C.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane?
The InChIKey is BGRUIAOAWSFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.2C9H10O2.C7H20OSi2.2C3H8/c1-2-8-14-9-11(13)10-15-12-6-4-3-5-7-12;2*1-2-4-8(5-3-1)10-6-9-7-11-9;1-7(2,9(3)4)8-10(5)6;2*1-3-2/h2-7,11,13H,1,8-10H2;2*1-5,9H,6-7H2;9-10H,1-6H3;2*3H2,1-2H3.
What are the key properties of 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane?
2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane has a molecular weight of 773.21 g/mol, XLogP of 9.18, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxypropan-2-yl(dimethyl)silane;bis(2-(phenoxymethyl)oxirane);1-phenoxy-3-prop-2-enoxypropan-2-ol;propane is sourced from PubChem (CID 123497853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).