tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane

C35H44O5Si — CID 10918855

IUPACtert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
SMILESCOc1ccc(COC[C@H](CC#CCOC2CCCCO2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C35H44O5Si/c1-35(2,3)41(32-16-7-5-8-17-32,33-18-9-6-10-19-33)40-31(15-11-13-25-38-34-20-12-14-26-39-34)28-37-27-29-21-23-30(36-4)24-22-29/h5-10,16-19,21-24,31,34H,12,14-15,20,25-28H2,1-4H3/t31-,34?/m0/s1
InChIKeyGKRYLAWOAPNPGY-PTYUOYDSSA-N
MW572.82 g/mol
LogP6.09
Rot. Bonds12

About tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane (PubChem CID 10918855) has the molecular formula C35H44O5Si and a molecular weight of 572.82 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
PubChem CID10918855
Molecular FormulaC35H44O5Si
Molecular Weight572.82 g/mol
Exact Mass572.30
IUPAC Nametert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
SMILESCOc1ccc(COC[C@H](CC#CCOC2CCCCO2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C35H44O5Si/c1-35(2,3)41(32-16-7-5-8-17-32,33-18-9-6-10-19-33)40-31(15-11-13-25-38-34-20-12-14-26-39-34)28-37-27-29-21-23-30(36-4)24-22-29/h5-10,16-19,21-24,31,34H,12,14-15,20,25-28H2,1-4H3/t31-,34?/m0/s1
InChIKeyGKRYLAWOAPNPGY-PTYUOYDSSA-N
XLogP6.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.82
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane 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)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane (CID 10918855) is tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane is COc1ccc(COC[C@H](CC#CCOC2CCCCO2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane?
The InChIKey is GKRYLAWOAPNPGY-PTYUOYDSSA-N. The full InChI is InChI=1S/C35H44O5Si/c1-35(2,3)41(32-16-7-5-8-17-32,33-18-9-6-10-19-33)40-31(15-11-13-25-38-34-20-12-14-26-39-34)28-37-27-29-21-23-30(36-4)24-22-29/h5-10,16-19,21-24,31,34H,12,14-15,20,25-28H2,1-4H3/t31-,34?/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane has a molecular weight of 572.82 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 10918855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).