1-trimethylsilyloxycyclopropane-1-carboxylic acid

C7H14O3Si — CID 56610611

IUPAC1-trimethylsilyloxycyclopropane-1-carboxylic acid
SMILESC[Si](C)(C)OC1(C(=O)O)CC1
InChIInChI=1S/C7H14O3Si/c1-11(2,3)10-7(4-5-7)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyMWLURSKXEDQHGC-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.46
Rot. Bonds3

About 1-trimethylsilyloxycyclopropane-1-carboxylic acid

1-trimethylsilyloxycyclopropane-1-carboxylic acid (PubChem CID 56610611) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-trimethylsilyloxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-trimethylsilyloxycyclopropane-1-carboxylic acid
PubChem CID56610611
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name1-trimethylsilyloxycyclopropane-1-carboxylic acid
SMILESC[Si](C)(C)OC1(C(=O)O)CC1
InChIInChI=1S/C7H14O3Si/c1-11(2,3)10-7(4-5-7)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyMWLURSKXEDQHGC-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-trimethylsilyloxycyclopropane-1-carboxylic acid (CID 56610611) is 1-trimethylsilyloxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-trimethylsilyloxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-trimethylsilyloxycyclopropane-1-carboxylic acid is C[Si](C)(C)OC1(C(=O)O)CC1.
What is the InChIKey of 1-trimethylsilyloxycyclopropane-1-carboxylic acid?
The InChIKey is MWLURSKXEDQHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-11(2,3)10-7(4-5-7)6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 1-trimethylsilyloxycyclopropane-1-carboxylic acid?
1-trimethylsilyloxycyclopropane-1-carboxylic acid has a molecular weight of 174.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 56610611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).