tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane

C29H40O5Si — CID 101419414

IUPACtert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](/C=C/CC2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OCCO2)O1
InChIInChI=1S/C29H40O5Si/c1-27(2,3)35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)33-20-19-29(30-21-22-31-29)18-12-13-24-23-32-28(4,5)34-24/h6-17,24H,18-23H2,1-5H3/b13-12+/t24-/m0/s1
InChIKeyREIKBAVEUJIVAA-BYUVYSIJSA-N
MW496.72 g/mol
LogP4.79
Rot. Bonds9

About tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane (PubChem CID 101419414) has the molecular formula C29H40O5Si and a molecular weight of 496.72 g/mol. Its IUPAC name is tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane
PubChem CID101419414
Molecular FormulaC29H40O5Si
Molecular Weight496.72 g/mol
Exact Mass496.26
IUPAC Nametert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](/C=C/CC2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OCCO2)O1
InChIInChI=1S/C29H40O5Si/c1-27(2,3)35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)33-20-19-29(30-21-22-31-29)18-12-13-24-23-32-28(4,5)34-24/h6-17,24H,18-23H2,1-5H3/b13-12+/t24-/m0/s1
InChIKeyREIKBAVEUJIVAA-BYUVYSIJSA-N
XLogP4.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.72
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
CID 101179874
tert-butyl-[2-[(1S,3R,5S,6R,8R,9R,10S,12R)-5-[tert-butyl(dimethyl)silyl]oxy-12-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-9-phenylmethoxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-en-6-yl]ethoxy]-diphenylsilane
CID 10985732
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
CID 11172648
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
CID 101368247
CID 101368247
(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-[(E)-8-(2-heptyl-1,3-dioxolan-2-yl)oct-1-enyl]pentane-1,3-diol
CID 58713414

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane (CID 101419414) is tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane is CC1(C)OC[C@H](/C=C/CC2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OCCO2)O1.
What is the InChIKey of tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is REIKBAVEUJIVAA-BYUVYSIJSA-N. The full InChI is InChI=1S/C29H40O5Si/c1-27(2,3)35(25-14-8-6-9-15-25,26-16-10-7-11-17-26)33-20-19-29(30-21-22-31-29)18-12-13-24-23-32-28(4,5)34-24/h6-17,24H,18-23H2,1-5H3/b13-12+/t24-/m0/s1.
What are the key properties of tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 496.72 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 101419414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).