ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate

C19H38O3Si — CID 154722300

IUPACethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
SMILESCCCC/C=C\[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h13-14,16-17H,9-12,15H2,1-8H3/b14-13-/t16-,17-/m1/s1
InChIKeyAOUYTGWXUYHNKE-VWPFORCUSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate

ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate (PubChem CID 154722300) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate.

Molecular Properties

Compound Nameethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
PubChem CID154722300
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
SMILESCCCC/C=C\[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h13-14,16-17H,9-12,15H2,1-8H3/b14-13-/t16-,17-/m1/s1
InChIKeyAOUYTGWXUYHNKE-VWPFORCUSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate?
The IUPAC name of ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate (CID 154722300) is ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate.
What is the SMILES notation for ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate?
The canonical SMILES for ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate is CCCC/C=C\[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate?
The InChIKey is AOUYTGWXUYHNKE-VWPFORCUSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h13-14,16-17H,9-12,15H2,1-8H3/b14-13-/t16-,17-/m1/s1.
What are the key properties of ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate?
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate is sourced from PubChem (CID 154722300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).