tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate

C17H34O2Si — CID 101496063

IUPACtri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
SMILESCCCC/C=C(\C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-11-12-16(8)17(18)19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b16-12+
InChIKeyLDCKRVMRWZOCIQ-FOWTUZBSSA-N
MW298.54 g/mol
LogP5.84
Rot. Bonds8

About tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate

tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate (PubChem CID 101496063) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
PubChem CID101496063
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
SMILESCCCC/C=C(\C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-11-12-16(8)17(18)19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b16-12+
InChIKeyLDCKRVMRWZOCIQ-FOWTUZBSSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

methyl (E)-2-methylhept-2-enoate
CID 13122847
phosphanyl 2-methylhept-2-enoate
CID 174654525
CID 177343190
CID 177343190
propyl (E)-2-methylhept-2-enoate
CID 13122849
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263
methylamino 2-methylhept-2-enoate
CID 174825179
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl 2-methyloct-2-enoate
CID 71403822
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
2-hydroxypropyl 2-methylpentadec-2-enoate
CID 57297679
2,4,4-trimethylpent-2-enoyl 2-methylhept-2-enoate
CID 173081152
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate?
The IUPAC name of tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate (CID 101496063) is tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate?
The canonical SMILES for tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate is CCCC/C=C(\C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate?
The InChIKey is LDCKRVMRWZOCIQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-11-12-16(8)17(18)19-20(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/b16-12+.
What are the key properties of tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate?
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate has a molecular weight of 298.54 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate is sourced from PubChem (CID 101496063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).