tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C21H38O4Si — CID 11773493

IUPACtert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC/C=C/C1OC([C@H]2COC(C)(C)O2)C=C(O[Si](C)(C)C(C)(C)C)C1CC
InChIInChI=1S/C21H38O4Si/c1-10-12-16-15(11-2)17(25-26(8,9)20(3,4)5)13-18(23-16)19-14-22-21(6,7)24-19/h10,12-13,15-16,18-19H,11,14H2,1-9H3/b12-10+/t15?,16?,18?,19-/m1/s1
InChIKeyRHJKJKUJGMLZFJ-VUKBBMIWSA-N
MW382.62 g/mol
LogP5.41
Rot. Bonds5

About tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 11773493) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
PubChem CID11773493
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Nametert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC/C=C/C1OC([C@H]2COC(C)(C)O2)C=C(O[Si](C)(C)C(C)(C)C)C1CC
InChIInChI=1S/C21H38O4Si/c1-10-12-16-15(11-2)17(25-26(8,9)20(3,4)5)13-18(23-16)19-14-22-21(6,7)24-19/h10,12-13,15-16,18-19H,11,14H2,1-9H3/b12-10+/t15?,16?,18?,19-/m1/s1
InChIKeyRHJKJKUJGMLZFJ-VUKBBMIWSA-N
XLogP5.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
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(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 14103109
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CID 11360349
(2S,3R,4R,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,5-trimethyloxane-3,4-diol
CID 10894453
(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 123629490
tert-butyl (2S,3S,7S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-ethyl-3-hydroxy-6-oxocycloheptane-1-carboxylate
CID 102427486
2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde
CID 132600338
(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(Z)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 143873475

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 11773493) is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is C/C=C/C1OC([C@H]2COC(C)(C)O2)C=C(O[Si](C)(C)C(C)(C)C)C1CC.
What is the InChIKey of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The InChIKey is RHJKJKUJGMLZFJ-VUKBBMIWSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-10-12-16-15(11-2)17(25-26(8,9)20(3,4)5)13-18(23-16)19-14-22-21(6,7)24-19/h10,12-13,15-16,18-19H,11,14H2,1-9H3/b12-10+/t15?,16?,18?,19-/m1/s1.
What are the key properties of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 382.62 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11773493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).