[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane

C37H74O4Si3 — CID 101029089

IUPAC[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H](CCOCc1ccccc1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H74O4Si3/c1-29(2)44(30(3)4,31(5)6)40-34(24-25-38-28-33-22-20-19-21-23-33)26-37(14,41-43(17,18)36(11,12)13)32(7)27-39-42(15,16)35(8,9)10/h19-23,29-32,34H,24-28H2,1-18H3/t32-,34+,37+/m0/s1
InChIKeyPFAHAKWMVALDOO-XNLCPIGASA-N
MW667.25 g/mol
LogP11.98
Rot. Bonds18

About [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane

[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane (PubChem CID 101029089) has the molecular formula C37H74O4Si3 and a molecular weight of 667.25 g/mol. Its IUPAC name is [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane
PubChem CID101029089
Molecular FormulaC37H74O4Si3
Molecular Weight667.25 g/mol
Exact Mass666.49
IUPAC Name[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H](CCOCc1ccccc1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H74O4Si3/c1-29(2)44(30(3)4,31(5)6)40-34(24-25-38-28-33-22-20-19-21-23-33)26-37(14,41-43(17,18)36(11,12)13)32(7)27-39-42(15,16)35(8,9)10/h19-23,29-32,34H,24-28H2,1-18H3/t32-,34+,37+/m0/s1
InChIKeyPFAHAKWMVALDOO-XNLCPIGASA-N
XLogP11.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.25
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6S)-5-(benzenesulfonyl)-2,6-dimethyl-8-phenylmethoxyoctoxy]-tert-butyl-dimethylsilane
CID 11027712
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
[5-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxypentyl] benzoate
CID 163284383
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
CID 11144701
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(5S)-5-[(2S,3R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylmethoxyheptan-3-yl]pyrrolidin-2-one
CID 11114448
[(4R,5R)-5-[(5S)-5,7-bis(phenylmethoxy)hept-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134978275

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane (CID 101029089) is [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane is CC(C)[Si](O[C@H](CCOCc1ccccc1)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane?
The InChIKey is PFAHAKWMVALDOO-XNLCPIGASA-N. The full InChI is InChI=1S/C37H74O4Si3/c1-29(2)44(30(3)4,31(5)6)40-34(24-25-38-28-33-22-20-19-21-23-33)26-37(14,41-43(17,18)36(11,12)13)32(7)27-39-42(15,16)35(8,9)10/h19-23,29-32,34H,24-28H2,1-18H3/t32-,34+,37+/m0/s1.
What are the key properties of [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane?
[(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane has a molecular weight of 667.25 g/mol, XLogP of 11.98, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dimethyl-1-(2-phenylmethoxyethyl)pentoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101029089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).