2-(trimethylsilylmethyl)pent-3-enoic acid

C9H18O2Si — CID 57204736

IUPAC2-(trimethylsilylmethyl)pent-3-enoic acid
SMILESCC=CC(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H18O2Si/c1-5-6-8(9(10)11)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,10,11)
InChIKeyUDAJBBYMNSFWOD-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.60
Rot. Bonds4

About 2-(trimethylsilylmethyl)pent-3-enoic acid

2-(trimethylsilylmethyl)pent-3-enoic acid (PubChem CID 57204736) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)pent-3-enoic acid.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)pent-3-enoic acid
PubChem CID57204736
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name2-(trimethylsilylmethyl)pent-3-enoic acid
SMILESCC=CC(C[Si](C)(C)C)C(=O)O
InChIInChI=1S/C9H18O2Si/c1-5-6-8(9(10)11)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,10,11)
InChIKeyUDAJBBYMNSFWOD-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.60
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 2-(trimethylsilylmethyl)pent-3-enoic acid?
The IUPAC name of 2-(trimethylsilylmethyl)pent-3-enoic acid (CID 57204736) is 2-(trimethylsilylmethyl)pent-3-enoic acid.
What is the SMILES notation for 2-(trimethylsilylmethyl)pent-3-enoic acid?
The canonical SMILES for 2-(trimethylsilylmethyl)pent-3-enoic acid is CC=CC(C[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-(trimethylsilylmethyl)pent-3-enoic acid?
The InChIKey is UDAJBBYMNSFWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-6-8(9(10)11)7-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,10,11).
What are the key properties of 2-(trimethylsilylmethyl)pent-3-enoic acid?
2-(trimethylsilylmethyl)pent-3-enoic acid has a molecular weight of 186.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)pent-3-enoic acid is sourced from PubChem (CID 57204736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).