tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane

C15H32O3Si — CID 135019503

IUPACtert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane
SMILESCC/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)COCOC
InChIInChI=1S/C15H32O3Si/c1-9-14(11-17-12-16-6)10-13(2)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3/b14-10+/t13-/m0/s1
InChIKeyNODSOCANLGLPQF-LFGHMXSPSA-N
MW288.50 g/mol
LogP4.35
Rot. Bonds8

About tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane (PubChem CID 135019503) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane
PubChem CID135019503
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nametert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane
SMILESCC/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)COCOC
InChIInChI=1S/C15H32O3Si/c1-9-14(11-17-12-16-6)10-13(2)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3/b14-10+/t13-/m0/s1
InChIKeyNODSOCANLGLPQF-LFGHMXSPSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.35
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-[[2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 134929022
triethyl-[(4E)-6-(methoxymethoxy)-4-methyl-7-(trimethylsilylmethyl)octa-4,7-dienoxy]silane
CID 101521916
tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10791321
Ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane
CID 57217976
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
methyl [(E)-3-(trimethylsilylmethyl)hex-3-en-2-yl] carbonate
CID 10263884
methyl [(Z)-3-(trimethylsilylmethyl)hex-3-en-2-yl] carbonate
CID 10467007
tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane
CID 10532271
trimethyl-[2-[[(E,2S)-5-tributylstannylpent-3-en-2-yl]oxymethoxy]ethyl]silane
CID 10720321
tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10768316

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane (CID 135019503) is tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane is CC/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)COCOC.
What is the InChIKey of tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is NODSOCANLGLPQF-LFGHMXSPSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-14(11-17-12-16-6)10-13(2)18-19(7,8)15(3,4)5/h10,13H,9,11-12H2,1-8H3/b14-10+/t13-/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 288.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 135019503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).