ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate

C27H38O3Si — CID 11166530

IUPACethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
SMILESCCOC(=O)/C(=C\[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC
InChIInChI=1S/C27H38O3Si/c1-7-23(26(28)29-8-2)21-22(3)19-20-30-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-22H,7-8,19-20H2,1-6H3/b23-21-/t22-/m1/s1
InChIKeyOYAXTHJWVBUIGS-RKKARLDVSA-N
MW438.68 g/mol
LogP5.49
Rot. Bonds10

About ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate

ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate (PubChem CID 11166530) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
PubChem CID11166530
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Nameethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
SMILESCCOC(=O)/C(=C\[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC
InChIInChI=1S/C27H38O3Si/c1-7-23(26(28)29-8-2)21-22(3)19-20-30-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-22H,7-8,19-20H2,1-6H3/b23-21-/t22-/m1/s1
InChIKeyOYAXTHJWVBUIGS-RKKARLDVSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate?
The IUPAC name of ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate (CID 11166530) is ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate?
The canonical SMILES for ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate is CCOC(=O)/C(=C\[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC.
What is the InChIKey of ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate?
The InChIKey is OYAXTHJWVBUIGS-RKKARLDVSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-7-23(26(28)29-8-2)21-22(3)19-20-30-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-22H,7-8,19-20H2,1-6H3/b23-21-/t22-/m1/s1.
What are the key properties of ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate?
ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate has a molecular weight of 438.68 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate is sourced from PubChem (CID 11166530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).