tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane

C24H46O5Si — CID 10836941

IUPACtert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C24H46O5Si/c1-23(2,3)30(6,7)27-18-11-8-9-13-20(28-22-14-10-12-17-25-22)15-16-21-19-26-24(4,5)29-21/h15-16,20-22H,8-14,17-19H2,1-7H3/b16-15+/t20?,21-,22?/m0/s1
InChIKeyBQOYNXSNKAGFNI-FBIMEDEDSA-N
MW442.71 g/mol
LogP6.19
Rot. Bonds11

About tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane

tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane (PubChem CID 10836941) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane
PubChem CID10836941
Molecular FormulaC24H46O5Si
Molecular Weight442.71 g/mol
Exact Mass442.31
IUPAC Nametert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C24H46O5Si/c1-23(2,3)30(6,7)27-18-11-8-9-13-20(28-22-14-10-12-17-25-22)15-16-21-19-26-24(4,5)29-21/h15-16,20-22H,8-14,17-19H2,1-7H3/b16-15+/t20?,21-,22?/m0/s1
InChIKeyBQOYNXSNKAGFNI-FBIMEDEDSA-N
XLogP6.19
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.71
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hex-5-en-3-yloxy-tert-butyl-dimethylsilane
CID 25111398
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
2-[2-(tert-Butyldimethylsilanyloxy)ethyl]-6-[6-(tert-butyldimethylsilanyloxyhept-1-en 3-(2-methoxyethoxymethoxy)tetrahydropyran
CID 46894696
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
Tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692820
tert-butyl-[(1S,4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692822
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane
CID 13216827
[(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
CID 18395992
tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 56607149
Tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
CID 57058828
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406
tert-butyl-[[(2R,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59027020

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane (CID 10836941) is tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane is CC1(C)OC[C@H](/C=C/C(CCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1.
What is the InChIKey of tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane?
The InChIKey is BQOYNXSNKAGFNI-FBIMEDEDSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-23(2,3)30(6,7)27-18-11-8-9-13-20(28-22-14-10-12-17-25-22)15-16-21-19-26-24(4,5)29-21/h15-16,20-22H,8-14,17-19H2,1-7H3/b16-15+/t20?,21-,22?/m0/s1.
What are the key properties of tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane?
tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane has a molecular weight of 442.71 g/mol, XLogP of 6.19, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 10836941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).