tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane

C27H54O2Si2 — CID 164665054

IUPACtri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane
SMILESC#CCC(CC=C)(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/c1-15-17-27(18-16-2,19-28-30(21(3)4,22(5)6)23(7)8)20-29-31(24(9)10,25(11)12)26(13)14/h1,16,21-26H,2,17-20H2,3-14H3
InChIKeyGZKSBFMTVQVXGA-UHFFFAOYSA-N
MW466.90 g/mol
LogP8.96
Rot. Bonds15

About tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane

tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane (PubChem CID 164665054) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane
PubChem CID164665054
Molecular FormulaC27H54O2Si2
Molecular Weight466.90 g/mol
Exact Mass466.37
IUPAC Nametri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane
SMILESC#CCC(CC=C)(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/c1-15-17-27(18-16-2,19-28-30(21(3)4,22(5)6)23(7)8)20-29-31(24(9)10,25(11)12)26(13)14/h1,16,21-26H,2,17-20H2,3-14H3
InChIKeyGZKSBFMTVQVXGA-UHFFFAOYSA-N
XLogP8.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-(4,4-dimethylhept-6-en-1-yn-3-yloxy)-dimethylsilane
CID 10944928
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
Tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
Tert-butyl-(4,4-dimethyl-1-trimethylgermylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 102240613
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-prop-2-enylpent-4-enoxy]methyl]-dimethylsilane
CID 135072279
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane
CID 60015086
Diethoxy-(2-ethyl-2-prop-2-enylpent-4-enoxy)-prop-2-enylsilane
CID 175537173
Tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane
CID 10850377
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 10927403
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynyl-2-methylpent-4-enoxy]-dimethylsilane
CID 11152863

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane?
The IUPAC name of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane (CID 164665054) is tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane is C#CCC(CC=C)(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane?
The InChIKey is GZKSBFMTVQVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si2/c1-15-17-27(18-16-2,19-28-30(21(3)4,22(5)6)23(7)8)20-29-31(24(9)10,25(11)12)26(13)14/h1,16,21-26H,2,17-20H2,3-14H3.
What are the key properties of tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane?
tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane has a molecular weight of 466.90 g/mol, XLogP of 8.96, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane is sourced from PubChem (CID 164665054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).