tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C29H42O5Si — CID 15614599

IUPACtert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C29H42O5Si/c1-27(2,3)34-26(30)20-22-19-23(33-29(7,8)32-22)21-31-35(28(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m1/s1
InChIKeyDHSLFOKOXCUVFS-PKTZIBPZSA-N
MW498.74 g/mol
LogP5.20
Rot. Bonds7

About tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 15614599) has the molecular formula C29H42O5Si and a molecular weight of 498.74 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID15614599
Molecular FormulaC29H42O5Si
Molecular Weight498.74 g/mol
Exact Mass498.28
IUPAC Nametert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C29H42O5Si/c1-27(2,3)34-26(30)20-22-19-23(33-29(7,8)32-22)21-31-35(28(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m1/s1
InChIKeyDHSLFOKOXCUVFS-PKTZIBPZSA-N
XLogP5.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.74
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 134831281
CID 134831281
CID 11541653
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CID 25108262
CID 25108262
CID 139249711
CID 139249711
CID 11014073
CID 11014073
CID 141553437
CID 141553437
CID 14110585
CID 14110585
CID 16098125
CID 16098125
CID 16098127
CID 16098127
CID 10885503
CID 10885503
CID 10961482
CID 10961482
CID 11365944
CID 11365944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 15614599) is tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is CC(C)(C)OC(=O)C[C@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is DHSLFOKOXCUVFS-PKTZIBPZSA-N. The full InChI is InChI=1S/C29H42O5Si/c1-27(2,3)34-26(30)20-22-19-23(33-29(7,8)32-22)21-31-35(28(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 498.74 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 15614599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).