triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane

C24H48O2Si2 — CID 15605929

IUPACtriethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane
SMILESCC#C[C@H](C)[C@H](O[Si](CC)(CC)CC)C(C)(C)/C(=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O2Si2/c1-12-20-21(9)23(26-28(17-6,18-7)19-8)24(10,11)22(13-2)25-27(14-3,15-4)16-5/h13,21,23H,14-19H2,1-11H3/b22-13-/t21-,23-/m0/s1
InChIKeyBOSXAJLMQGTUSC-TXVFOLKNSA-N
MW424.82 g/mol
LogP7.99
Rot. Bonds13

About triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane

triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane (PubChem CID 15605929) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane
PubChem CID15605929
Molecular FormulaC24H48O2Si2
Molecular Weight424.82 g/mol
Exact Mass424.32
IUPAC Nametriethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane
SMILESCC#C[C@H](C)[C@H](O[Si](CC)(CC)CC)C(C)(C)/C(=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O2Si2/c1-12-20-21(9)23(26-28(17-6,18-7)19-8)24(10,11)22(13-2)25-27(14-3,15-4)16-5/h13,21,23H,14-19H2,1-11H3/b22-13-/t21-,23-/m0/s1
InChIKeyBOSXAJLMQGTUSC-TXVFOLKNSA-N
XLogP7.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane
CID 163405091
[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane
CID 11123708
[(5S)-5-but-3-enyl-5-[(1S)-1-trimethylsilyloxybut-3-ynyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 101348495
[(1S)-1-[(1R)-1-but-3-ynyl-2-trimethylsilyloxycyclopent-2-en-1-yl]-4-trimethylsilylbut-3-ynoxy]-trimethylsilane
CID 101348496
[(5R)-5-but-3-ynyl-5-[(1R)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 101348502
[(5R)-5-but-3-ynyl-5-[(1S)-1-trimethylsilyloxybut-3-enyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 101348503
lithium (Z,4S,5R)-4,6-dimethyl-5-tributylsilyloxyhept-2-en-3-olate
CID 101692137
lithium (E,4S,5R)-4,6-dimethyl-5-tributylsilyloxyhept-2-en-3-olate
CID 101692139
[5-But-3-ynyl-3,3-dimethyl-5-(1-trimethylsilyloxybut-3-ynyl)cyclopenten-1-yl]oxy-trimethylsilane
CID 102006373

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane?
The IUPAC name of triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane (CID 15605929) is triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane.
What is the SMILES notation for triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane?
The canonical SMILES for triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane is CC#C[C@H](C)[C@H](O[Si](CC)(CC)CC)C(C)(C)/C(=C/C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane?
The InChIKey is BOSXAJLMQGTUSC-TXVFOLKNSA-N. The full InChI is InChI=1S/C24H48O2Si2/c1-12-20-21(9)23(26-28(17-6,18-7)19-8)24(10,11)22(13-2)25-27(14-3,15-4)16-5/h13,21,23H,14-19H2,1-11H3/b22-13-/t21-,23-/m0/s1.
What are the key properties of triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane?
triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane has a molecular weight of 424.82 g/mol, XLogP of 7.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane is sourced from PubChem (CID 15605929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).