triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane

C16H34O4Si — CID 10663386

IUPACtriethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
SMILESC=C[C@H](OCOC)[C@@H](OC)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H34O4Si/c1-8-15(19-13-17-6)16(18-7)14(5)12-20-21(9-2,10-3)11-4/h8,14-16H,1,9-13H2,2-7H3/t14-,15-,16-/m0/s1
InChIKeyABPWONZIIUAKBP-JYJNAYRXSA-N
MW318.53 g/mol
LogP3.83
Rot. Bonds13

About triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane

triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane (PubChem CID 10663386) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
PubChem CID10663386
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Nametriethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
SMILESC=C[C@H](OCOC)[C@@H](OC)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H34O4Si/c1-8-15(19-13-17-6)16(18-7)14(5)12-20-21(9-2,10-3)11-4/h8,14-16H,1,9-13H2,2-7H3/t14-,15-,16-/m0/s1
InChIKeyABPWONZIIUAKBP-JYJNAYRXSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
CID 15981704
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
CID 134883051
tert-butyl-[(2R,3R)-3-(methoxymethoxy)-2-[(2S)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 11141190
tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 87487976
Tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
CID 139790325
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829
(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane
CID 164606420
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
CID 10756934
(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
CID 10828375
tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane
CID 11486539
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
CID 11784470

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane?
The IUPAC name of triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane (CID 10663386) is triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane.
What is the SMILES notation for triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane?
The canonical SMILES for triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane is C=C[C@H](OCOC)[C@@H](OC)[C@@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane?
The InChIKey is ABPWONZIIUAKBP-JYJNAYRXSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-8-15(19-13-17-6)16(18-7)14(5)12-20-21(9-2,10-3)11-4/h8,14-16H,1,9-13H2,2-7H3/t14-,15-,16-/m0/s1.
What are the key properties of triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane?
triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane has a molecular weight of 318.53 g/mol, XLogP of 3.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane is sourced from PubChem (CID 10663386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).