ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate

C19H36O3Si — CID 11724843

IUPACethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESC=C(CCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C19H36O3Si/c1-9-21-19(20)18(8)13-11-10-12-14-22-23(15(2)3,16(4)5)17(6)7/h12,14-17H,8-11,13H2,1-7H3/b14-12+
InChIKeyMNHYMXJEMFORQK-WYMLVPIESA-N
MW340.58 g/mol
LogP5.98
Rot. Bonds11

About ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate

ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate (PubChem CID 11724843) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
PubChem CID11724843
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nameethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESC=C(CCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChIInChI=1S/C19H36O3Si/c1-9-21-19(20)18(8)13-11-10-12-14-22-23(15(2)3,16(4)5)17(6)7/h12,14-17H,8-11,13H2,1-7H3/b14-12+
InChIKeyMNHYMXJEMFORQK-WYMLVPIESA-N
XLogP5.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.98
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate?
The IUPAC name of ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate (CID 11724843) is ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate.
What is the SMILES notation for ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate?
The canonical SMILES for ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate is C=C(CCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate?
The InChIKey is MNHYMXJEMFORQK-WYMLVPIESA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-21-19(20)18(8)13-11-10-12-14-22-23(15(2)3,16(4)5)17(6)7/h12,14-17H,8-11,13H2,1-7H3/b14-12+.
What are the key properties of ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate?
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate has a molecular weight of 340.58 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate is sourced from PubChem (CID 11724843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).