tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane

C28H60O5Si2 — CID 11555574

IUPACtert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane
SMILESCOCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si2/c1-24(22-32-34(10,11)27(3,4)5)18-16-14-15-17-19-26(31-23-30-21-20-29-9)25(2)33-35(12,13)28(6,7)8/h15,17,24-26H,14,16,18-23H2,1-13H3/b17-15-/t24-,25-,26-/m0/s1
InChIKeyNZMQQIFIKANGFA-BDYIZISRSA-N
MW532.96 g/mol
LogP8.18
Rot. Bonds18

About tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane

tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane (PubChem CID 11555574) has the molecular formula C28H60O5Si2 and a molecular weight of 532.96 g/mol. Its IUPAC name is tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane
PubChem CID11555574
Molecular FormulaC28H60O5Si2
Molecular Weight532.96 g/mol
Exact Mass532.40
IUPAC Nametert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane
SMILESCOCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si2/c1-24(22-32-34(10,11)27(3,4)5)18-16-14-15-17-19-26(31-23-30-21-20-29-9)25(2)33-35(12,13)28(6,7)8/h15,17,24-26H,14,16,18-23H2,1-13H3/b17-15-/t24-,25-,26-/m0/s1
InChIKeyNZMQQIFIKANGFA-BDYIZISRSA-N
XLogP8.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.96
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane (CID 11555574) is tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane is COCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane?
The InChIKey is NZMQQIFIKANGFA-BDYIZISRSA-N. The full InChI is InChI=1S/C28H60O5Si2/c1-24(22-32-34(10,11)27(3,4)5)18-16-14-15-17-19-26(31-23-30-21-20-29-9)25(2)33-35(12,13)28(6,7)8/h15,17,24-26H,14,16,18-23H2,1-13H3/b17-15-/t24-,25-,26-/m0/s1.
What are the key properties of tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane has a molecular weight of 532.96 g/mol, XLogP of 8.18, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-(2-methoxyethoxymethoxy)-2-methylundec-6-enoxy]-dimethylsilane is sourced from PubChem (CID 11555574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).