(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol

C22H46O5Si — CID 11718679

IUPAC(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol
SMILESCOCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C22H46O5Si/c1-19(17-27-28(7,8)22(3,4)5)13-11-9-10-12-14-21(20(2)23)26-18-25-16-15-24-6/h10,12,19-21,23H,9,11,13-18H2,1-8H3/b12-10-/t19-,20-,21-/m0/s1
InChIKeyWKUVNRBXRQMEIH-ITQZNVLBSA-N
MW418.69 g/mol
LogP5.15
Rot. Bonds16

About (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol

(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol (PubChem CID 11718679) has the molecular formula C22H46O5Si and a molecular weight of 418.69 g/mol. Its IUPAC name is (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol.

Molecular Properties

Compound Name(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol
PubChem CID11718679
Molecular FormulaC22H46O5Si
Molecular Weight418.69 g/mol
Exact Mass418.31
IUPAC Name(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol
SMILESCOCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C22H46O5Si/c1-19(17-27-28(7,8)22(3,4)5)13-11-9-10-12-14-21(20(2)23)26-18-25-16-15-24-6/h10,12,19-21,23H,9,11,13-18H2,1-8H3/b12-10-/t19-,20-,21-/m0/s1
InChIKeyWKUVNRBXRQMEIH-ITQZNVLBSA-N
XLogP5.15
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 55.15
H-Bond Donors ≤ 51
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 (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol?
The IUPAC name of (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol (CID 11718679) is (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol.
What is the SMILES notation for (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol?
The canonical SMILES for (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol is COCCOCO[C@@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol?
The InChIKey is WKUVNRBXRQMEIH-ITQZNVLBSA-N. The full InChI is InChI=1S/C22H46O5Si/c1-19(17-27-28(7,8)22(3,4)5)13-11-9-10-12-14-21(20(2)23)26-18-25-16-15-24-6/h10,12,19-21,23H,9,11,13-18H2,1-8H3/b12-10-/t19-,20-,21-/m0/s1.
What are the key properties of (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol?
(Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol has a molecular weight of 418.69 g/mol, XLogP of 5.15, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)-10-methylundec-5-en-2-ol is sourced from PubChem (CID 11718679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).