tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane

C21H42O3Si — CID 10547164

IUPACtert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
SMILESCCCC[C@@H]1OC(C)(C)O[C@H]1/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-9-10-15-18-19(24-21(5,6)23-18)16-13-11-12-14-17-22-25(7,8)20(2,3)4/h13,16,18-19H,9-12,14-15,17H2,1-8H3/b16-13-/t18-,19-/m0/s1
InChIKeyHYSAKZLFIOPFKQ-FVHIEPAVSA-N
MW370.65 g/mol
LogP6.45
Rot. Bonds10

About tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane

tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane (PubChem CID 10547164) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
PubChem CID10547164
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
SMILESCCCC[C@@H]1OC(C)(C)O[C@H]1/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-9-10-15-18-19(24-21(5,6)23-18)16-13-11-12-14-17-22-25(7,8)20(2,3)4/h13,16,18-19H,9-12,14-15,17H2,1-8H3/b16-13-/t18-,19-/m0/s1
InChIKeyHYSAKZLFIOPFKQ-FVHIEPAVSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
5-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,5-dihydrofuran-2-yl]pent-1-ynyl-tri(propan-2-yl)silane
CID 11574697
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
[(Z)-3-[[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hept-2-en-4,6-diynoxy]-dimethyl-prop-2-enylsilane
CID 101461398
5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,5-dihydrofuran-2-yl]pent-1-ynyl-tri(propan-2-yl)silane
CID 134939458
tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane
CID 134970763
[(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]-trimethylsilane
CID 134975999
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
CID 134983641

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane (CID 10547164) is tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane is CCCC[C@@H]1OC(C)(C)O[C@H]1/C=C\CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane?
The InChIKey is HYSAKZLFIOPFKQ-FVHIEPAVSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-9-10-15-18-19(24-21(5,6)23-18)16-13-11-12-14-17-22-25(7,8)20(2,3)4/h13,16,18-19H,9-12,14-15,17H2,1-8H3/b16-13-/t18-,19-/m0/s1.
What are the key properties of tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane?
tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane has a molecular weight of 370.65 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 10547164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).