(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol

C26H50O5Si — CID 23631118

IUPAC(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C26H50O5Si/c1-21(2)11-9-12-22(3)13-10-16-25(4,27)23-14-15-24(31-23)26(5,28)19-30-20-29-17-18-32(6,7)8/h11,13,23-24,27-28H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24-,25+,26+/m0/s1
InChIKeyVJNMCFGNFSNAOE-SQSKPHHUSA-N
MW470.77 g/mol
LogP5.84
Rot. Bonds15

About (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol

(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol (PubChem CID 23631118) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol.

Molecular Properties

Compound Name(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
PubChem CID23631118
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Name(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C26H50O5Si/c1-21(2)11-9-12-22(3)13-10-16-25(4,27)23-14-15-24(31-23)26(5,28)19-30-20-29-17-18-32(6,7)8/h11,13,23-24,27-28H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24-,25+,26+/m0/s1
InChIKeyVJNMCFGNFSNAOE-SQSKPHHUSA-N
XLogP5.84
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 55.84
H-Bond Donors ≤ 52
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'}

Analyze (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The IUPAC name of (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol (CID 23631118) is (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol.
What is the SMILES notation for (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The canonical SMILES for (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol is CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1.
What is the InChIKey of (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The InChIKey is VJNMCFGNFSNAOE-SQSKPHHUSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-21(2)11-9-12-22(3)13-10-16-25(4,27)23-14-15-24(31-23)26(5,28)19-30-20-29-17-18-32(6,7)8/h11,13,23-24,27-28H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24-,25+,26+/m0/s1.
What are the key properties of (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
(2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol has a molecular weight of 470.77 g/mol, XLogP of 5.84, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol is sourced from PubChem (CID 23631118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).