4-(trimethylsilylmethyl)pent-4-enoic acid

C9H18O2Si — CID 18461138

IUPAC4-(trimethylsilylmethyl)pent-4-enoic acid
SMILESC=C(CCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(5-6-9(10)11)7-12(2,3)4/h1,5-7H2,2-4H3,(H,10,11)
InChIKeyCNSYTQYASQDXOP-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.75
Rot. Bonds5

About 4-(trimethylsilylmethyl)pent-4-enoic acid

4-(trimethylsilylmethyl)pent-4-enoic acid (PubChem CID 18461138) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 4-(trimethylsilylmethyl)pent-4-enoic acid.

Molecular Properties

Compound Name4-(trimethylsilylmethyl)pent-4-enoic acid
PubChem CID18461138
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name4-(trimethylsilylmethyl)pent-4-enoic acid
SMILESC=C(CCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(5-6-9(10)11)7-12(2,3)4/h1,5-7H2,2-4H3,(H,10,11)
InChIKeyCNSYTQYASQDXOP-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 4-(trimethylsilylmethyl)pent-4-enoic acid?
The IUPAC name of 4-(trimethylsilylmethyl)pent-4-enoic acid (CID 18461138) is 4-(trimethylsilylmethyl)pent-4-enoic acid.
What is the SMILES notation for 4-(trimethylsilylmethyl)pent-4-enoic acid?
The canonical SMILES for 4-(trimethylsilylmethyl)pent-4-enoic acid is C=C(CCC(=O)O)C[Si](C)(C)C.
What is the InChIKey of 4-(trimethylsilylmethyl)pent-4-enoic acid?
The InChIKey is CNSYTQYASQDXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(5-6-9(10)11)7-12(2,3)4/h1,5-7H2,2-4H3,(H,10,11).
What are the key properties of 4-(trimethylsilylmethyl)pent-4-enoic acid?
4-(trimethylsilylmethyl)pent-4-enoic acid has a molecular weight of 186.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trimethylsilylmethyl)pent-4-enoic acid is sourced from PubChem (CID 18461138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).