tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C18H38O4Si2 — CID 11494530

IUPACtert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC=C(C[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(22-23(7,8)9)12-15-16(21-18(5,6)20-15)13-19-24(10,11)17(2,3)4/h15-16H,1,12-13H2,2-11H3/t15-,16-/m1/s1
InChIKeyVOHMCZYYFNZWND-HZPDHXFCSA-N
MW374.67 g/mol
LogP5.28
Rot. Bonds7

About tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11494530) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11494530
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Nametert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC=C(C[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(22-23(7,8)9)12-15-16(21-18(5,6)20-15)13-19-24(10,11)17(2,3)4/h15-16H,1,12-13H2,2-11H3/t15-,16-/m1/s1
InChIKeyVOHMCZYYFNZWND-HZPDHXFCSA-N
XLogP5.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E,1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-en-1-ol
CID 11100828
tert-butyl-[[(3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
CID 134974941
[(Z)-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]methyl]-trimethylsilane
CID 134982677
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
triethyl-[[(2R)-5-methylidene-3,4-bis(triethylsilyloxy)oxolan-2-yl]methoxy]silane
CID 135033093
[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 71614257
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 10357472
[(E)-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]methyl]-trimethylsilane
CID 11111518
tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
CID 11204097
tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
CID 11319276
ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
CID 11417867

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11494530) is tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C=C(C[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is VOHMCZYYFNZWND-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-14(22-23(7,8)9)12-15-16(21-18(5,6)20-15)13-19-24(10,11)17(2,3)4/h15-16H,1,12-13H2,2-11H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 374.67 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R,5R)-2,2-dimethyl-5-(2-trimethylsilyloxyprop-2-enyl)-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11494530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).