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

C33H42O5Si — CID 50922766

IUPACtert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane
SMILESCC1(C)O[C@H]([C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C33H42O5Si/c1-31(2,3)39(25-19-13-9-14-20-25,26-21-15-10-16-22-26)38-28(24-17-11-8-12-18-24)30-29(36-33(6,7)37-30)27-23-34-32(4,5)35-27/h8-22,27-30H,23H2,1-7H3/t27-,28-,29-,30-/m1/s1
InChIKeyDQCSWLPMPDEGRD-SKKKGAJSSA-N
MW546.78 g/mol
LogP5.98
Rot. Bonds7

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

tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane (PubChem CID 50922766) has the molecular formula C33H42O5Si and a molecular weight of 546.78 g/mol. Its IUPAC name is tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane
PubChem CID50922766
Molecular FormulaC33H42O5Si
Molecular Weight546.78 g/mol
Exact Mass546.28
IUPAC Nametert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane
SMILESCC1(C)O[C@H]([C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C33H42O5Si/c1-31(2,3)39(25-19-13-9-14-20-25,26-21-15-10-16-22-26)38-28(24-17-11-8-12-18-24)30-29(36-33(6,7)37-30)27-23-34-32(4,5)35-27/h8-22,27-30H,23H2,1-7H3/t27-,28-,29-,30-/m1/s1
InChIKeyDQCSWLPMPDEGRD-SKKKGAJSSA-N
XLogP5.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane (CID 50922766) is tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane is CC1(C)O[C@H]([C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane?
The InChIKey is DQCSWLPMPDEGRD-SKKKGAJSSA-N. The full InChI is InChI=1S/C33H42O5Si/c1-31(2,3)39(25-19-13-9-14-20-25,26-21-15-10-16-22-26)38-28(24-17-11-8-12-18-24)30-29(36-33(6,7)37-30)27-23-34-32(4,5)35-27/h8-22,27-30H,23H2,1-7H3/t27-,28-,29-,30-/m1/s1.
What are the key properties of tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane?
tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane has a molecular weight of 546.78 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]-diphenylsilane is sourced from PubChem (CID 50922766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).