ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate

C19H38O3Si — CID 53260171

IUPACethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate
SMILESCCOC(=O)CC(C)/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-21-19(20)14-18(8)12-10-11-13-22-23(15(2)3,16(4)5)17(6)7/h10,12,15-18H,9,11,13-14H2,1-8H3/b12-10+
InChIKeyRUHBWNVFPXSEBK-ZRDIBKRKSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds11

About ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate

ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate (PubChem CID 53260171) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate
PubChem CID53260171
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate
SMILESCCOC(=O)CC(C)/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-21-19(20)14-18(8)12-10-11-13-22-23(15(2)3,16(4)5)17(6)7/h10,12,15-18H,9,11,13-14H2,1-8H3/b12-10+
InChIKeyRUHBWNVFPXSEBK-ZRDIBKRKSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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 (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate?
The IUPAC name of ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate (CID 53260171) is ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate.
What is the SMILES notation for ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate?
The canonical SMILES for ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate is CCOC(=O)CC(C)/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate?
The InChIKey is RUHBWNVFPXSEBK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-21-19(20)14-18(8)12-10-11-13-22-23(15(2)3,16(4)5)17(6)7/h10,12,15-18H,9,11,13-14H2,1-8H3/b12-10+.
What are the key properties of ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate?
ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-4-enoate is sourced from PubChem (CID 53260171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).