[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate

C29H52O5Si — CID 11762936

IUPAC[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate
SMILESCC(/C=C/COC(=O)C(C)(C)C)=C\C[C@@H](C[C@@H]1C=CC[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H52O5Si/c1-21(2)35(22(3)4,23(5)6)34-26(19-25-14-11-15-27(20-30)33-25)17-16-24(7)13-12-18-32-28(31)29(8,9)10/h11-14,16,21-23,25-27,30H,15,17-20H2,1-10H3/b13-12+,24-16+/t25-,26-,27-/m0/s1
InChIKeyGOGZHHQYPBOMNL-CXDWNXILSA-N
MW508.82 g/mol
LogP7.13
Rot. Bonds13

About [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate

[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate (PubChem CID 11762936) has the molecular formula C29H52O5Si and a molecular weight of 508.82 g/mol. Its IUPAC name is [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate
PubChem CID11762936
Molecular FormulaC29H52O5Si
Molecular Weight508.82 g/mol
Exact Mass508.36
IUPAC Name[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate
SMILESCC(/C=C/COC(=O)C(C)(C)C)=C\C[C@@H](C[C@@H]1C=CC[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H52O5Si/c1-21(2)35(22(3)4,23(5)6)34-26(19-25-14-11-15-27(20-30)33-25)17-16-24(7)13-12-18-32-28(31)29(8,9)10/h11-14,16,21-23,25-27,30H,15,17-20H2,1-10H3/b13-12+,24-16+/t25-,26-,27-/m0/s1
InChIKeyGOGZHHQYPBOMNL-CXDWNXILSA-N
XLogP7.13
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.82
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate 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 [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate (CID 11762936) is [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate is CC(/C=C/COC(=O)C(C)(C)C)=C\C[C@@H](C[C@@H]1C=CC[C@@H](CO)O1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate?
The InChIKey is GOGZHHQYPBOMNL-CXDWNXILSA-N. The full InChI is InChI=1S/C29H52O5Si/c1-21(2)35(22(3)4,23(5)6)34-26(19-25-14-11-15-27(20-30)33-25)17-16-24(7)13-12-18-32-28(31)29(8,9)10/h11-14,16,21-23,25-27,30H,15,17-20H2,1-10H3/b13-12+,24-16+/t25-,26-,27-/m0/s1.
What are the key properties of [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate?
[(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate has a molecular weight of 508.82 g/mol, XLogP of 7.13, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,7S)-8-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-tri(propan-2-yl)silyloxyocta-2,4-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).