methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate

C20H40O3Si — CID 10665995

IUPACmethyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate
SMILESCCCC/C=C\CC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h12-13,16-19H,9-11,14-15H2,1-8H3/b13-12-
InChIKeyALIXNLABPFOBFS-SEYXRHQNSA-N
MW356.62 g/mol
LogP6.25
Rot. Bonds12

About methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate

methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate (PubChem CID 10665995) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate
PubChem CID10665995
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Namemethyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate
SMILESCCCC/C=C\CC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h12-13,16-19H,9-11,14-15H2,1-8H3/b13-12-
InChIKeyALIXNLABPFOBFS-SEYXRHQNSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.25
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 methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate?
The IUPAC name of methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate (CID 10665995) is methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate.
What is the SMILES notation for methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate?
The canonical SMILES for methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate is CCCC/C=C\CC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate?
The InChIKey is ALIXNLABPFOBFS-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h12-13,16-19H,9-11,14-15H2,1-8H3/b13-12-.
What are the key properties of methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate?
methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate has a molecular weight of 356.62 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-tri(propan-2-yl)silyloxydec-5-enoate is sourced from PubChem (CID 10665995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).