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

C26H44O4Si2 — CID 71517154

IUPACtriethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
SMILESCC#CC#C/C=C1\O[C@]2(CCCCO2)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C26H44O4Si2/c1-8-15-16-17-20-23-24(29-31(9-2,10-3)11-4)25(30-32(12-5,13-6)14-7)26(28-23)21-18-19-22-27-26/h20,24-25H,9-14,18-19,21-22H2,1-7H3/b23-20-/t24-,25+,26+/m0/s1
InChIKeyPUHMCNJEVBNRQJ-DAJUXNSHSA-N
MW476.81 g/mol
LogP6.60
Rot. Bonds10

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

triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (PubChem CID 71517154) has the molecular formula C26H44O4Si2 and a molecular weight of 476.81 g/mol. Its IUPAC name is triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
PubChem CID71517154
Molecular FormulaC26H44O4Si2
Molecular Weight476.81 g/mol
Exact Mass476.28
IUPAC Nametriethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
SMILESCC#CC#C/C=C1\O[C@]2(CCCCO2)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C26H44O4Si2/c1-8-15-16-17-20-23-24(29-31(9-2,10-3)11-4)25(30-32(12-5,13-6)14-7)26(28-23)21-18-19-22-27-26/h20,24-25H,9-14,18-19,21-22H2,1-7H3/b23-20-/t24-,25+,26+/m0/s1
InChIKeyPUHMCNJEVBNRQJ-DAJUXNSHSA-N
XLogP6.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.81
LogP ≤ 56.60
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,5R)-3-triethylsilyloxy-2-(3-trimethylsilylprop-2-ynylidene)-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane
CID 71517010
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,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)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The IUPAC name of triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane (CID 71517154) is triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The canonical SMILES for triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is CC#CC#C/C=C1\O[C@]2(CCCCO2)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
The InChIKey is PUHMCNJEVBNRQJ-DAJUXNSHSA-N. The full InChI is InChI=1S/C26H44O4Si2/c1-8-15-16-17-20-23-24(29-31(9-2,10-3)11-4)25(30-32(12-5,13-6)14-7)26(28-23)21-18-19-22-27-26/h20,24-25H,9-14,18-19,21-22H2,1-7H3/b23-20-/t24-,25+,26+/m0/s1.
What are the key properties of triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane?
triethyl-[[(2Z,3R,4R,5R)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane has a molecular weight of 476.81 g/mol, XLogP of 6.60, 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)-2-hexa-2,4-diynylidene-3-triethylsilyloxy-1,10-dioxaspiro[4.5]decan-4-yl]oxy]silane is sourced from PubChem (CID 71517154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).