tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane

C37H54O4Si — CID 11467432

IUPACtert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane
SMILESC=CC[C@@H]1CC[C@H](C)[C@@H](C[C@@H]2C[C@H](C[C@H](CC=C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C37H54O4Si/c1-9-17-29-24-23-28(3)35(38-29)27-32-26-31(39-37(7,8)40-32)25-30(18-10-2)41-42(36(4,5)6,33-19-13-11-14-20-33)34-21-15-12-16-22-34/h9-16,19-22,28-32,35H,1-2,17-18,23-27H2,3-8H3/t28-,29+,30-,31-,32-,35+/m0/s1
InChIKeyRBWUJAQKOYAVFC-RPKZYHJXSA-N
MW590.92 g/mol
LogP7.96
Rot. Bonds12

About tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane (PubChem CID 11467432) has the molecular formula C37H54O4Si and a molecular weight of 590.92 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane
PubChem CID11467432
Molecular FormulaC37H54O4Si
Molecular Weight590.92 g/mol
Exact Mass590.38
IUPAC Nametert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane
SMILESC=CC[C@@H]1CC[C@H](C)[C@@H](C[C@@H]2C[C@H](C[C@H](CC=C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C37H54O4Si/c1-9-17-29-24-23-28(3)35(38-29)27-32-26-31(39-37(7,8)40-32)25-30(18-10-2)41-42(36(4,5)6,33-19-13-11-14-20-33)34-21-15-12-16-22-34/h9-16,19-22,28-32,35H,1-2,17-18,23-27H2,3-8H3/t28-,29+,30-,31-,32-,35+/m0/s1
InChIKeyRBWUJAQKOYAVFC-RPKZYHJXSA-N
XLogP7.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 57.96
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-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-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

Related Compounds

tert-butyl-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-yl]oxy-diphenylsilane
CID 11250839
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,6R)-2,2-dimethyl-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]hept-1-en-4-yl] prop-2-enoate
CID 132553674
(3aS,6S,6aS)-6-[(1S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 25227816
tert-butyl-[(4R,5E)-7-[(4S,6S)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]hepta-1,5-dien-4-yl]oxy-dimethylsilane
CID 11247788
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 25258627
tert-butyl-[2-[(2R,3R,6S)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 25258406
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane (CID 11467432) is tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane is C=CC[C@@H]1CC[C@H](C)[C@@H](C[C@@H]2C[C@H](C[C@H](CC=C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1.
What is the InChIKey of tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane?
The InChIKey is RBWUJAQKOYAVFC-RPKZYHJXSA-N. The full InChI is InChI=1S/C37H54O4Si/c1-9-17-29-24-23-28(3)35(38-29)27-32-26-31(39-37(7,8)40-32)25-30(18-10-2)41-42(36(4,5)6,33-19-13-11-14-20-33)34-21-15-12-16-22-34/h9-16,19-22,28-32,35H,1-2,17-18,23-27H2,3-8H3/t28-,29+,30-,31-,32-,35+/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane has a molecular weight of 590.92 g/mol, XLogP of 7.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 11467432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).