tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane

C17H32O3Si — CID 101411859

IUPACtert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-14-15(20-17(5,6)19-14)12-10-11-13-18-21(7,8)16(2,3)4/h9-10,12,14-15H,1,11,13H2,2-8H3/b12-10+/t14-,15-/m0/s1
InChIKeyKEGGKCVELLAKER-INXSZFJKSA-N
MW312.53 g/mol
LogP4.66
Rot. Bonds6

About tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane

tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane (PubChem CID 101411859) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
PubChem CID101411859
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-14-15(20-17(5,6)19-14)12-10-11-13-18-21(7,8)16(2,3)4/h9-10,12,14-15H,1,11,13H2,2-8H3/b12-10+/t14-,15-/m0/s1
InChIKeyKEGGKCVELLAKER-INXSZFJKSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.66
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

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
[(Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylbut-1-en-2-yl]oxy-trimethylsilane
CID 15247900
tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
CID 15605685
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane (CID 101411859) is tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane is C=C[C@@H]1OC(C)(C)O[C@H]1/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The InChIKey is KEGGKCVELLAKER-INXSZFJKSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-14-15(20-17(5,6)19-14)12-10-11-13-18-21(7,8)16(2,3)4/h9-10,12,14-15H,1,11,13H2,2-8H3/b12-10+/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 101411859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).