triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane

C26H50O4Si3 — CID 71517010

IUPACtriethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)/C(=C/C#C[Si](C)(C)C)O[C@]12CCCCO2
InChIInChI=1S/C26H50O4Si3/c1-10-32(11-2,12-3)29-24-23(19-18-22-31(7,8)9)28-26(20-16-17-21-27-26)25(24)30-33(13-4,14-5)15-6/h19,24-25H,10-17,20-21H2,1-9H3/b23-19-/t24-,25+,26+/m0/s1
InChIKeyHHIDJTIIIMFLIS-OKEHORLASA-N
MW510.94 g/mol
LogP7.46
Rot. Bonds10

About triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane

triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (PubChem CID 71517010) has the molecular formula C26H50O4Si3 and a molecular weight of 510.94 g/mol. Its IUPAC name is triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
PubChem CID71517010
Molecular FormulaC26H50O4Si3
Molecular Weight510.94 g/mol
Exact Mass510.30
IUPAC Nametriethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)/C(=C/C#C[Si](C)(C)C)O[C@]12CCCCO2
InChIInChI=1S/C26H50O4Si3/c1-10-32(11-2,12-3)29-24-23(19-18-22-31(7,8)9)28-26(20-16-17-21-27-26)25(24)30-33(13-4,14-5)15-6/h19,24-25H,10-17,20-21H2,1-9H3/b23-19-/t24-,25+,26+/m0/s1
InChIKeyHHIDJTIIIMFLIS-OKEHORLASA-N
XLogP7.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.94
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517011
tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane
CID 11005757
(4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one
CID 11332224
tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(5-methoxycyclohexa-1,4-dien-1-yl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 16058944
triethyl-[[(2Z,3R,4R,5R)-2-prop-2-ynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517152
triethyl-[[(2Z,3R,4R,5S)-2-prop-2-ynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517153
triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517154
triethyl-[[(2Z,3R,4R,5S)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517155
triethyl-[[(2Z,3R,4R,5S)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 102311845
triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-[(E)-3-trimethylsilylprop-2-enylidene]-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 102311846

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The IUPAC name of triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (CID 71517010) is triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The canonical SMILES for triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is CC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)/C(=C/C#C[Si](C)(C)C)O[C@]12CCCCO2.
What is the InChIKey of triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The InChIKey is HHIDJTIIIMFLIS-OKEHORLASA-N. The full InChI is InChI=1S/C26H50O4Si3/c1-10-32(11-2,12-3)29-24-23(19-18-22-31(7,8)9)28-26(20-16-17-21-27-26)25(24)30-33(13-4,14-5)15-6/h19,24-25H,10-17,20-21H2,1-9H3/b23-19-/t24-,25+,26+/m0/s1.
What are the key properties of triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane has a molecular weight of 510.94 g/mol, XLogP of 7.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(2Z,3R,4R,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is sourced from PubChem (CID 71517010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).