ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate

C15H30O3Si — CID 11601670

IUPACethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
SMILESC=CCCC[C@@H](O[Si](C)(C)C)C(C)(C)C(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-8-10-11-12-13(18-19(5,6)7)15(3,4)14(16)17-9-2/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1
InChIKeyHMWSIPXIKYGSLV-CYBMUJFWSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds9

About ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate

ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate (PubChem CID 11601670) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate.

Molecular Properties

Compound Nameethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
PubChem CID11601670
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
SMILESC=CCCC[C@@H](O[Si](C)(C)C)C(C)(C)C(=O)OCC
InChIInChI=1S/C15H30O3Si/c1-8-10-11-12-13(18-19(5,6)7)15(3,4)14(16)17-9-2/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1
InChIKeyHMWSIPXIKYGSLV-CYBMUJFWSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
CID 101484310
ethyl 2,2-dimethylhex-5-enoate
CID 14906730
ethyl (3E)-2,2-dihydroxytetracosa-3,23-dienoate
CID 71777473
diethyl 2-but-3-enyl-2-(2-methylpropyl)propanedioate
CID 113360252
diethyl 2-amino-2-but-3-enylpropanedioate
CID 62705267
diethyl 2-but-3-enyl-2-propan-2-ylpropanedioate
CID 113360268
ethyl 2-ethyloct-7-enoate
CID 175101308
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961
ethyl 2-(1-hydroxyethyl)hept-6-enoate
CID 10726713
2-propylhept-6-enoyl 2-propylhept-6-enoate
CID 139914283
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate
CID 134865991

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate?
The IUPAC name of ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate (CID 11601670) is ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate.
What is the SMILES notation for ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate?
The canonical SMILES for ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate is C=CCCC[C@@H](O[Si](C)(C)C)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate?
The InChIKey is HMWSIPXIKYGSLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-10-11-12-13(18-19(5,6)7)15(3,4)14(16)17-9-2/h8,13H,1,9-12H2,2-7H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate?
ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate is sourced from PubChem (CID 11601670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).