tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane

C27H52O5Si — CID 10552899

IUPACtert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C27H52O5Si/c1-26(2,3)33(6,7)30-21-14-11-9-8-10-12-16-23(31-25-17-13-15-20-28-25)18-19-24-22-29-27(4,5)32-24/h18-19,23-25H,8-17,20-22H2,1-7H3/b19-18+/t23?,24-,25?/m0/s1
InChIKeyQTQBVYIRIXUBLX-IPQMWUKRSA-N
MW484.79 g/mol
LogP7.36
Rot. Bonds14

About tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane

tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane (PubChem CID 10552899) has the molecular formula C27H52O5Si and a molecular weight of 484.79 g/mol. Its IUPAC name is tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane
PubChem CID10552899
Molecular FormulaC27H52O5Si
Molecular Weight484.79 g/mol
Exact Mass484.36
IUPAC Nametert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C27H52O5Si/c1-26(2,3)33(6,7)30-21-14-11-9-8-10-12-16-23(31-25-17-13-15-20-28-25)18-19-24-22-29-27(4,5)32-24/h18-19,23-25H,8-17,20-22H2,1-7H3/b19-18+/t23?,24-,25?/m0/s1
InChIKeyQTQBVYIRIXUBLX-IPQMWUKRSA-N
XLogP7.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.79
LogP ≤ 57.36
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
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(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
[(3R,4R,5R)-5-[(E)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
CID 67594900
tert-butyl-[(1S,4R)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 70433754

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane (CID 10552899) is tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane is CC1(C)OC[C@H](/C=C/C(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1.
What is the InChIKey of tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane?
The InChIKey is QTQBVYIRIXUBLX-IPQMWUKRSA-N. The full InChI is InChI=1S/C27H52O5Si/c1-26(2,3)33(6,7)30-21-14-11-9-8-10-12-16-23(31-25-17-13-15-20-28-25)18-19-24-22-29-27(4,5)32-24/h18-19,23-25H,8-17,20-22H2,1-7H3/b19-18+/t23?,24-,25?/m0/s1.
What are the key properties of tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane?
tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane has a molecular weight of 484.79 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane is sourced from PubChem (CID 10552899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).