tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane

C17H34O3Si — CID 154719882

IUPACtert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane
SMILESC=C[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-14(2)15(20-21(7,8)16(3,4)5)10-11-17(6)18-12-13-19-17/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m0/s1
InChIKeyJVESYMYSWUMOJO-GJZGRUSLSA-N
MW314.54 g/mol
LogP4.74
Rot. Bonds7

About tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane (PubChem CID 154719882) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane
PubChem CID154719882
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane
SMILESC=C[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-14(2)15(20-21(7,8)16(3,4)5)10-11-17(6)18-12-13-19-17/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m0/s1
InChIKeyJVESYMYSWUMOJO-GJZGRUSLSA-N
XLogP4.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 11222033
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane
CID 134839745
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
tert-butyl-[(1R,2S,3R)-6,6-dibromo-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
CID 11071617
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58160460
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58304891
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58305089
tert-butyl-[(Z,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58453148
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124818
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 68373432

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane (CID 154719882) is tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane is C=C[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane?
The InChIKey is JVESYMYSWUMOJO-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-14(2)15(20-21(7,8)16(3,4)5)10-11-17(6)18-12-13-19-17/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane has a molecular weight of 314.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane is sourced from PubChem (CID 154719882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).