7-(2-methylbutylsilyl)hept-4-enoic acid

C12H24O2Si — CID 123210489

IUPAC7-(2-methylbutylsilyl)hept-4-enoic acid
SMILESCCC(C)C[SiH2]CCC=CCCC(=O)O
InChIInChI=1S/C12H24O2Si/c1-3-11(2)10-15-9-7-5-4-6-8-12(13)14/h4-5,11H,3,6-10,15H2,1-2H3,(H,13,14)
InChIKeyUOKZMDIJXRTZLI-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.85
Rot. Bonds9

About 7-(2-methylbutylsilyl)hept-4-enoic acid

7-(2-methylbutylsilyl)hept-4-enoic acid (PubChem CID 123210489) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 7-(2-methylbutylsilyl)hept-4-enoic acid.

Molecular Properties

Compound Name7-(2-methylbutylsilyl)hept-4-enoic acid
PubChem CID123210489
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name7-(2-methylbutylsilyl)hept-4-enoic acid
SMILESCCC(C)C[SiH2]CCC=CCCC(=O)O
InChIInChI=1S/C12H24O2Si/c1-3-11(2)10-15-9-7-5-4-6-8-12(13)14/h4-5,11H,3,6-10,15H2,1-2H3,(H,13,14)
InChIKeyUOKZMDIJXRTZLI-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-(2-methylbutylsilyl)hept-4-enoic acid?
The IUPAC name of 7-(2-methylbutylsilyl)hept-4-enoic acid (CID 123210489) is 7-(2-methylbutylsilyl)hept-4-enoic acid.
What is the SMILES notation for 7-(2-methylbutylsilyl)hept-4-enoic acid?
The canonical SMILES for 7-(2-methylbutylsilyl)hept-4-enoic acid is CCC(C)C[SiH2]CCC=CCCC(=O)O.
What is the InChIKey of 7-(2-methylbutylsilyl)hept-4-enoic acid?
The InChIKey is UOKZMDIJXRTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-3-11(2)10-15-9-7-5-4-6-8-12(13)14/h4-5,11H,3,6-10,15H2,1-2H3,(H,13,14).
What are the key properties of 7-(2-methylbutylsilyl)hept-4-enoic acid?
7-(2-methylbutylsilyl)hept-4-enoic acid has a molecular weight of 228.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutylsilyl)hept-4-enoic acid is sourced from PubChem (CID 123210489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).