triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane

C21H34O3Si — CID 11013916

IUPACtriethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
SMILESC#C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](CC)(CC)CC
InChIInChI=1S/C21H34O3Si/c1-7-18(5)21(24-25(8-2,9-3)10-4)15-16-23-17-19-11-13-20(22-6)14-12-19/h1,11-14,18,21H,8-10,15-17H2,2-6H3/t18-,21+/m0/s1
InChIKeyVKVHCQAIVOZEPE-GHTZIAJQSA-N
MW362.59 g/mol
LogP5.26
Rot. Bonds12

About triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane

triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane (PubChem CID 11013916) has the molecular formula C21H34O3Si and a molecular weight of 362.59 g/mol. Its IUPAC name is triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
PubChem CID11013916
Molecular FormulaC21H34O3Si
Molecular Weight362.59 g/mol
Exact Mass362.23
IUPAC Nametriethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
SMILESC#C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](CC)(CC)CC
InChIInChI=1S/C21H34O3Si/c1-7-18(5)21(24-25(8-2,9-3)10-4)15-16-23-17-19-11-13-20(22-6)14-12-19/h1,11-14,18,21H,8-10,15-17H2,2-6H3/t18-,21+/m0/s1
InChIKeyVKVHCQAIVOZEPE-GHTZIAJQSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.26
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(2R,3R)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentan-1-ol
CID 71734812
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1-(3-isocyanobutoxymethyl)-4-methoxybenzene
CID 86075538
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
CID 10927398
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
CID 11382954
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane?
The IUPAC name of triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane (CID 11013916) is triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane is C#C[C@H](C)[C@@H](CCOCc1ccc(OC)cc1)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane?
The InChIKey is VKVHCQAIVOZEPE-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H34O3Si/c1-7-18(5)21(24-25(8-2,9-3)10-4)15-16-23-17-19-11-13-20(22-6)14-12-19/h1,11-14,18,21H,8-10,15-17H2,2-6H3/t18-,21+/m0/s1.
What are the key properties of triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane?
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane has a molecular weight of 362.59 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane is sourced from PubChem (CID 11013916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).