tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane

C37H48O4Si — CID 102174057

IUPACtert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane
SMILESC=C1C[C@H](COCc2ccc(OC)cc2)O[C@@H]1CC[C@@H](C/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H48O4Si/c1-7-8-15-32(41-42(37(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)24-25-36-29(2)26-33(40-36)28-39-27-30-20-22-31(38-6)23-21-30/h7-14,16-23,32-33,36H,2,15,24-28H2,1,3-6H3/b8-7+/t32-,33-,36-/m1/s1
InChIKeyGGNNDNZRZODZJR-WNVLTCKWSA-N
MW584.87 g/mol
LogP7.62
Rot. Bonds14

About tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane

tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane (PubChem CID 102174057) has the molecular formula C37H48O4Si and a molecular weight of 584.87 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane
PubChem CID102174057
Molecular FormulaC37H48O4Si
Molecular Weight584.87 g/mol
Exact Mass584.33
IUPAC Nametert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane
SMILESC=C1C[C@H](COCc2ccc(OC)cc2)O[C@@H]1CC[C@@H](C/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H48O4Si/c1-7-8-15-32(41-42(37(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)24-25-36-29(2)26-33(40-36)28-39-27-30-20-22-31(38-6)23-21-30/h7-14,16-23,32-33,36H,2,15,24-28H2,1,3-6H3/b8-7+/t32-,33-,36-/m1/s1
InChIKeyGGNNDNZRZODZJR-WNVLTCKWSA-N
XLogP7.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.87
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-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

Related Compounds

tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl-[(2S)-1-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxy-diphenylsilane
CID 10793853
tert-butyl-[[(2S,3S)-3-[3-[(4-methoxyphenyl)methoxy]prop-1-en-2-yl]oxiran-2-yl]methoxy]-diphenylsilane
CID 11283212
tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
CID 10918855
(2S,3Z,5S,6Z,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]dodeca-3,6-dien-5-ol
CID 166444797
(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol
CID 134866735
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
CID 88913790
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane (CID 102174057) is tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane is C=C1C[C@H](COCc2ccc(OC)cc2)O[C@@H]1CC[C@@H](C/C=C/C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane?
The InChIKey is GGNNDNZRZODZJR-WNVLTCKWSA-N. The full InChI is InChI=1S/C37H48O4Si/c1-7-8-15-32(41-42(37(3,4)5,34-16-11-9-12-17-34)35-18-13-10-14-19-35)24-25-36-29(2)26-33(40-36)28-39-27-30-20-22-31(38-6)23-21-30/h7-14,16-23,32-33,36H,2,15,24-28H2,1,3-6H3/b8-7+/t32-,33-,36-/m1/s1.
What are the key properties of tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane?
tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane has a molecular weight of 584.87 g/mol, XLogP of 7.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-1-[(2R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3-methylideneoxolan-2-yl]hept-5-en-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 102174057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).