tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

C22H38O4Si — CID 46832456

IUPACtert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC[C@H](C[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O4Si/c1-17(26-27(7,8)21(2,3)4)14-19-20(25-22(5,6)24-19)16-23-15-18-12-10-9-11-13-18/h9-13,17,19-20H,14-16H2,1-8H3/t17-,19+,20+/m1/s1
InChIKeyDPCAWEKUWSXAOP-HOJAQTOUSA-N
MW394.63 g/mol
LogP5.52
Rot. Bonds8

About tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 46832456) has the molecular formula C22H38O4Si and a molecular weight of 394.63 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
PubChem CID46832456
Molecular FormulaC22H38O4Si
Molecular Weight394.63 g/mol
Exact Mass394.25
IUPAC Nametert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
SMILESC[C@H](C[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O4Si/c1-17(26-27(7,8)21(2,3)4)14-19-20(25-22(5,6)24-19)16-23-15-18-12-10-9-11-13-18/h9-13,17,19-20H,14-16H2,1-8H3/t17-,19+,20+/m1/s1
InChIKeyDPCAWEKUWSXAOP-HOJAQTOUSA-N
XLogP5.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose
CID 97907
2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane
CID 85795
1,3-Dioxolane, 2,2,4-trimethyl-5-(phenylmethoxy)methyl-, cis-
CID 561179
2,4,5-Trimethyl-2-phenyl-1,3-dioxolane
CID 221655
(2R,3R,4R)-3,4-Bis(benzyloxy)-2-((benzyloxy)methyl)-5-methoxytetrahydrofuran
CID 11015594
(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane
CID 10878747
(R)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane
CID 10944055
1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-beta-D-ribo-hexopyranose
CID 67930757
1,6-anhydro-4-O-benzyl-3-deoxy-2-O-methyl-beta-D-ribo-hexopyranose
CID 67930855
(R)-4-[(S)-1-(Benzyloxy)-3-buten-1-yl]-2,2-dimethyl-1,3-dioxolane
CID 10923345
2,2,4-Trimethyl-5-phenyl-1,3-dioxolane
CID 10943328
2,2-Diethyl-4-phenyl-1,3-dioxolane
CID 14065915

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane (CID 46832456) is tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is C[C@H](C[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
The InChIKey is DPCAWEKUWSXAOP-HOJAQTOUSA-N. The full InChI is InChI=1S/C22H38O4Si/c1-17(26-27(7,8)21(2,3)4)14-19-20(25-22(5,6)24-19)16-23-15-18-12-10-9-11-13-18/h9-13,17,19-20H,14-16H2,1-8H3/t17-,19+,20+/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 394.63 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 46832456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).