tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane

C23H38O3Si — CID 53350176

IUPACtert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
SMILESCC/C=C/C[C@H]1O[C@@H](COCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38O3Si/c1-7-8-10-15-21-22(26-27(5,6)23(2,3)4)16-20(25-21)18-24-17-19-13-11-9-12-14-19/h8-14,20-22H,7,15-18H2,1-6H3/b10-8+/t20-,21-,22-/m1/s1
InChIKeyIUSWXZPCCSRPOU-GQOCCYOKSA-N
MW390.64 g/mol
LogP6.11
Rot. Bonds9

About tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane

tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane (PubChem CID 53350176) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
PubChem CID53350176
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Nametert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
SMILESCC/C=C/C[C@H]1O[C@@H](COCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38O3Si/c1-7-8-10-15-21-22(26-27(5,6)23(2,3)4)16-20(25-21)18-24-17-19-13-11-9-12-14-19/h8-14,20-22H,7,15-18H2,1-6H3/b10-8+/t20-,21-,22-/m1/s1
InChIKeyIUSWXZPCCSRPOU-GQOCCYOKSA-N
XLogP6.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane with MolForge

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Related Compounds

(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
CID 44514537
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
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,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 71537129
tert-butyl-[[(2R,4S,5S,6R)-4,5-dibromo-6-(phenylmethoxymethyl)oxan-2-yl]methoxy]-dimethylsilane
CID 10505813
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
CID 102251588
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
CID 102400011
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-5-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-13-phenylmethoxy-12-(phenylmethoxymethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]acetic acid
CID 16720254

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane (CID 53350176) is tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane is CC/C=C/C[C@H]1O[C@@H](COCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane?
The InChIKey is IUSWXZPCCSRPOU-GQOCCYOKSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-7-8-10-15-21-22(26-27(5,6)23(2,3)4)16-20(25-21)18-24-17-19-13-11-9-12-14-19/h8-14,20-22H,7,15-18H2,1-6H3/b10-8+/t20-,21-,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane has a molecular weight of 390.64 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane is sourced from PubChem (CID 53350176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).