tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane

C28H56O3Si3 — CID 11678087

IUPACtert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane
SMILESC/C=C/[C@H](OCOCC[Si](C)(C)C)C(C)(C)[C@H](C/C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si3/c1-15-19-25(30-24-29-21-23-33(10,11)12)28(5,6)26(31-34(13,14)27(2,3)4)20-17-16-18-22-32(7,8)9/h15-17,19,25-26H,20-21,23-24H2,1-14H3/b17-16-,19-15+/t25-,26-/m0/s1
InChIKeySZPZDEBTHOWRPG-HFTWUANCSA-N
MW525.01 g/mol
LogP8.50
Rot. Bonds13

About tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane

tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane (PubChem CID 11678087) has the molecular formula C28H56O3Si3 and a molecular weight of 525.01 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane
PubChem CID11678087
Molecular FormulaC28H56O3Si3
Molecular Weight525.01 g/mol
Exact Mass524.35
IUPAC Nametert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane
SMILESC/C=C/[C@H](OCOCC[Si](C)(C)C)C(C)(C)[C@H](C/C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si3/c1-15-19-25(30-24-29-21-23-33(10,11)12)28(5,6)26(31-34(13,14)27(2,3)4)20-17-16-18-22-32(7,8)9/h15-17,19,25-26H,20-21,23-24H2,1-14H3/b17-16-,19-15+/t25-,26-/m0/s1
InChIKeySZPZDEBTHOWRPG-HFTWUANCSA-N
XLogP8.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 58.50
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane (CID 11678087) is tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane is C/C=C/[C@H](OCOCC[Si](C)(C)C)C(C)(C)[C@H](C/C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane?
The InChIKey is SZPZDEBTHOWRPG-HFTWUANCSA-N. The full InChI is InChI=1S/C28H56O3Si3/c1-15-19-25(30-24-29-21-23-33(10,11)12)28(5,6)26(31-34(13,14)27(2,3)4)20-17-16-18-22-32(7,8)9/h15-17,19,25-26H,20-21,23-24H2,1-14H3/b17-16-,19-15+/t25-,26-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane?
tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane has a molecular weight of 525.01 g/mol, XLogP of 8.50, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane is sourced from PubChem (CID 11678087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).