tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane

C45H58O3Si — CID 11671982

IUPACtert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane
SMILESC[C@H]([C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)[C@@](C)(COCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C45H58O3Si/c1-36(44(5,38-25-15-9-16-26-38)35-46-33-37-23-13-8-14-24-37)42(48-49(6,7)43(2,3)4)34-47-45(39-27-17-10-18-28-39,40-29-19-11-20-30-40)41-31-21-12-22-32-41/h8,10-14,17-25,27-32,36,42H,9,15-16,26,33-35H2,1-7H3/t36-,42-,44-/m1/s1
InChIKeyPTWGTXKEVYYUET-LUGBWMRRSA-N
MW675.04 g/mol
LogP11.75
Rot. Bonds15

About tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane (PubChem CID 11671982) has the molecular formula C45H58O3Si and a molecular weight of 675.04 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane
PubChem CID11671982
Molecular FormulaC45H58O3Si
Molecular Weight675.04 g/mol
Exact Mass674.42
IUPAC Nametert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane
SMILESC[C@H]([C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)[C@@](C)(COCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C45H58O3Si/c1-36(44(5,38-25-15-9-16-26-38)35-46-33-37-23-13-8-14-24-37)42(48-49(6,7)43(2,3)4)34-47-45(39-27-17-10-18-28-39,40-29-19-11-20-30-40)41-31-21-12-22-32-41/h8,10-14,17-25,27-32,36,42H,9,15-16,26,33-35H2,1-7H3/t36-,42-,44-/m1/s1
InChIKeyPTWGTXKEVYYUET-LUGBWMRRSA-N
XLogP11.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.04
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane (CID 11671982) is tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane is C[C@H]([C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)[C@@](C)(COCc1ccccc1)C1=CCCCC1.
What is the InChIKey of tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane?
The InChIKey is PTWGTXKEVYYUET-LUGBWMRRSA-N. The full InChI is InChI=1S/C45H58O3Si/c1-36(44(5,38-25-15-9-16-26-38)35-46-33-37-23-13-8-14-24-37)42(48-49(6,7)43(2,3)4)34-47-45(39-27-17-10-18-28-39,40-29-19-11-20-30-40)41-31-21-12-22-32-41/h8,10-14,17-25,27-32,36,42H,9,15-16,26,33-35H2,1-7H3/t36-,42-,44-/m1/s1.
What are the key properties of tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane has a molecular weight of 675.04 g/mol, XLogP of 11.75, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R)-4-(cyclohexen-1-yl)-3,4-dimethyl-5-phenylmethoxy-1-trityloxypentan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11671982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).