tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate

C20H40O3Si — CID 11089606

IUPACtri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
SMILESC/C(=C\CCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C20H40O3Si/c1-16(2)24(17(3)4,18(5)6)23-20(22)14-12-10-8-9-11-13-19(7)15-21/h13,16-18,21H,8-12,14-15H2,1-7H3/b19-13+
InChIKeyDXYAYJWABRXMCX-CPNJWEJPSA-N
MW356.62 g/mol
LogP5.98
Rot. Bonds12

About tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate

tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate (PubChem CID 11089606) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
PubChem CID11089606
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
SMILESC/C(=C\CCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C20H40O3Si/c1-16(2)24(17(3)4,18(5)6)23-20(22)14-12-10-8-9-11-13-19(7)15-21/h13,16-18,21H,8-12,14-15H2,1-7H3/b19-13+
InChIKeyDXYAYJWABRXMCX-CPNJWEJPSA-N
XLogP5.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
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 tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate?
The IUPAC name of tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate (CID 11089606) is tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate?
The canonical SMILES for tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate is C/C(=C\CCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)CO.
What is the InChIKey of tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate?
The InChIKey is DXYAYJWABRXMCX-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-16(2)24(17(3)4,18(5)6)23-20(22)14-12-10-8-9-11-13-19(7)15-21/h13,16-18,21H,8-12,14-15H2,1-7H3/b19-13+.
What are the key properties of tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate?
tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate has a molecular weight of 356.62 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate is sourced from PubChem (CID 11089606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).