[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane

C20H32O2Si — CID 42643409

IUPAC[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@H]1O[C@H](Cc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O2Si/c1-7-11-18-19(22-23(5,6)20(2,3)4)15-17(21-18)14-16-12-9-8-10-13-16/h7-10,12-13,17-19H,1,11,14-15H2,2-6H3/t17-,18-,19-/m1/s1
InChIKeyMYIYHAVCZCGCTB-GUDVDZBRSA-N
MW332.56 g/mol
LogP5.35
Rot. Bonds6

About [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 42643409) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID42643409
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Name[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@H]1O[C@H](Cc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O2Si/c1-7-11-18-19(22-23(5,6)20(2,3)4)15-17(21-18)14-16-12-9-8-10-13-16/h7-10,12-13,17-19H,1,11,14-15H2,2-6H3/t17-,18-,19-/m1/s1
InChIKeyMYIYHAVCZCGCTB-GUDVDZBRSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
CID 102400011
tert-butyl-[(2R,3R,5S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-prop-2-enyloxolan-3-yl]oxy-diphenylsilane
CID 11961542
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(2S,4S,6R)-4-benzyl-2-(4-methoxyphenyl)-6-prop-2-enyl-1,3-dioxane
CID 102019920
[(2S,3S,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxy-2-prop-2-enyloxolan-3-yl]methanesulfonic acid
CID 122224046
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
CID 139670541
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 42643409) is [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@H]1O[C@H](Cc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MYIYHAVCZCGCTB-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-7-11-18-19(22-23(5,6)20(2,3)4)15-17(21-18)14-16-12-9-8-10-13-16/h7-10,12-13,17-19H,1,11,14-15H2,2-6H3/t17-,18-,19-/m1/s1.
What are the key properties of [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 42643409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).