1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol

C35H62N4O4Si3 — CID 68952431

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(O)C(Cc2nccn2COCC[Si](C)(C)C)Cc2nccn2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C35H62N4O4Si3/c1-35(2,3)46(10,11)43-26-29-12-14-30(15-13-29)34(40)31(24-32-36-16-18-38(32)27-41-20-22-44(4,5)6)25-33-37-17-19-39(33)28-42-21-23-45(7,8)9/h12-19,31,34,40H,20-28H2,1-11H3
InChIKeyHZMFACLQIVVDAL-UHFFFAOYSA-N
MW687.16 g/mol
LogP8.36
Rot. Bonds19

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol (PubChem CID 68952431) has the molecular formula C35H62N4O4Si3 and a molecular weight of 687.16 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
PubChem CID68952431
Molecular FormulaC35H62N4O4Si3
Molecular Weight687.16 g/mol
Exact Mass686.41
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(O)C(Cc2nccn2COCC[Si](C)(C)C)Cc2nccn2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C35H62N4O4Si3/c1-35(2,3)46(10,11)43-26-29-12-14-30(15-13-29)34(40)31(24-32-36-16-18-38(32)27-41-20-22-44(4,5)6)25-33-37-17-19-39(33)28-42-21-23-45(7,8)9/h12-19,31,34,40H,20-28H2,1-11H3
InChIKeyHZMFACLQIVVDAL-UHFFFAOYSA-N
XLogP8.36
TPSA83.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.16
LogP ≤ 58.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol (CID 68952431) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol is CC(C)(C)[Si](C)(C)OCc1ccc(C(O)C(Cc2nccn2COCC[Si](C)(C)C)Cc2nccn2COCC[Si](C)(C)C)cc1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
The InChIKey is HZMFACLQIVVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N4O4Si3/c1-35(2,3)46(10,11)43-26-29-12-14-30(15-13-29)34(40)31(24-32-36-16-18-38(32)27-41-20-22-44(4,5)6)25-33-37-17-19-39(33)28-42-21-23-45(7,8)9/h12-19,31,34,40H,20-28H2,1-11H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol has a molecular weight of 687.16 g/mol, XLogP of 8.36, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol is sourced from PubChem (CID 68952431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).