[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate

C20H38O3Si — CID 24850677

IUPAC[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
SMILESCCC/C=C/C(=C/CCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-11-12-14-17(23-18(21)19(2,3)4)15-13-16-22-24(8,9)20(5,6)7/h12,14-15H,10-11,13,16H2,1-9H3/b14-12+,17-15-
InChIKeyGFRKBJXIXJWECE-ZXNBGUBTSA-N
MW354.61 g/mol
LogP6.23
Rot. Bonds8

About [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate

[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate (PubChem CID 24850677) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
PubChem CID24850677
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
SMILESCCC/C=C/C(=C/CCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-11-12-14-17(23-18(21)19(2,3)4)15-13-16-22-24(8,9)20(5,6)7/h12,14-15H,10-11,13,16H2,1-9H3/b14-12+,17-15-
InChIKeyGFRKBJXIXJWECE-ZXNBGUBTSA-N
XLogP6.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 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

Related Compounds

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexa-2,4-dien-1-yl]methyl 2,2-dimethylpropanoate
CID 44127228
[(2E,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhexa-2,5-dienyl] 2-methylprop-2-enoate
CID 102075174
methyl (2E,3E,5E,9E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,10-dimethylundeca-3,5,9-trienoate
CID 102385619
ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate
CID 134903462
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylhepta-2,4-dienoate
CID 11109765
tert-butyl (2E,3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4-methylnona-3,5-dienoate
CID 10948920
Tert-butyl 9-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4-methylnona-3,5-dienoate
CID 85342207
ethyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4-dienoate
CID 89574516
ethyl (2E,4E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4-dienoate
CID 89574527
ethyl (7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4-dienoate
CID 123571132
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4-dienoate
CID 140658620

Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate (CID 24850677) is [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate is CCC/C=C/C(=C/CCO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C.
What is the InChIKey of [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate?
The InChIKey is GFRKBJXIXJWECE-ZXNBGUBTSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-10-11-12-14-17(23-18(21)19(2,3)4)15-13-16-22-24(8,9)20(5,6)7/h12,14-15H,10-11,13,16H2,1-9H3/b14-12+,17-15-.
What are the key properties of [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate?
[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate has a molecular weight of 354.61 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 24850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).