[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane

C31H48O5Si — CID 11734142

IUPAC[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCOC(OCC)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CC
InChIInChI=1S/C31H48O5Si/c1-10-24(4)27-31(36-30(8,9)35-27,28(32-11-2)33-12-3)23-34-37(29(5,6)7,25-19-15-13-16-20-25)26-21-17-14-18-22-26/h13-22,24,27-28H,10-12,23H2,1-9H3/t24-,27-,31+/m0/s1
InChIKeyDTWFCANAVLWXGP-PPGHQKADSA-N
MW528.81 g/mol
LogP5.90
Rot. Bonds12

About [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane

[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11734142) has the molecular formula C31H48O5Si and a molecular weight of 528.81 g/mol. Its IUPAC name is [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11734142
Molecular FormulaC31H48O5Si
Molecular Weight528.81 g/mol
Exact Mass528.33
IUPAC Name[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCOC(OCC)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CC
InChIInChI=1S/C31H48O5Si/c1-10-24(4)27-31(36-30(8,9)35-27,28(32-11-2)33-12-3)23-34-37(29(5,6)7,25-19-15-13-16-20-25)26-21-17-14-18-22-26/h13-22,24,27-28H,10-12,23H2,1-9H3/t24-,27-,31+/m0/s1
InChIKeyDTWFCANAVLWXGP-PPGHQKADSA-N
XLogP5.90
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.81
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-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

(2S)-2-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetaldehyde
CID 11626914
(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 122366240
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
2-[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetonitrile
CID 66636341
2-[(3aS,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetonitrile
CID 59796271
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(3aS,5S,6R,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 100914587
[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
(3aS,6R,6aS)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxylic acid
CID 15343718

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane (CID 11734142) is [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane is CCOC(OCC)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CC.
What is the InChIKey of [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is DTWFCANAVLWXGP-PPGHQKADSA-N. The full InChI is InChI=1S/C31H48O5Si/c1-10-24(4)27-31(36-30(8,9)35-27,28(32-11-2)33-12-3)23-34-37(29(5,6)7,25-19-15-13-16-20-25)26-21-17-14-18-22-26/h13-22,24,27-28H,10-12,23H2,1-9H3/t24-,27-,31+/m0/s1.
What are the key properties of [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
[(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 528.81 g/mol, XLogP of 5.90, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-[(2S)-butan-2-yl]-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11734142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).