2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid

C10H18O3Si — CID 70459172

IUPAC2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid
SMILESC[Si](C)(C)OC1CC=C(CC(=O)O)C1
InChIInChI=1S/C10H18O3Si/c1-14(2,3)13-9-5-4-8(6-9)7-10(11)12/h4,9H,5-7H2,1-3H3,(H,11,12)
InChIKeyRBIMAWKNGATDSN-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid

2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid (PubChem CID 70459172) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid
PubChem CID70459172
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid
SMILESC[Si](C)(C)OC1CC=C(CC(=O)O)C1
InChIInChI=1S/C10H18O3Si/c1-14(2,3)13-9-5-4-8(6-9)7-10(11)12/h4,9H,5-7H2,1-3H3,(H,11,12)
InChIKeyRBIMAWKNGATDSN-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid (CID 70459172) is 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid is C[Si](C)(C)OC1CC=C(CC(=O)O)C1.
What is the InChIKey of 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid?
The InChIKey is RBIMAWKNGATDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-14(2,3)13-9-5-4-8(6-9)7-10(11)12/h4,9H,5-7H2,1-3H3,(H,11,12).
What are the key properties of 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid?
2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid has a molecular weight of 214.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid is sourced from PubChem (CID 70459172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).