1-trimethylsilyloxycyclopropane-1-carboxylate

C7H13O3Si- — CID 131712897

IUPAC1-trimethylsilyloxycyclopropane-1-carboxylate
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)/p-1
InChIKeyMWLURSKXEDQHGC-UHFFFAOYSA-M
MW173.26 g/mol
LogP0.12
Rot. Bonds3

About 1-trimethylsilyloxycyclopropane-1-carboxylate

1-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 131712897) has the molecular formula C7H13O3Si- and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID131712897
Molecular FormulaC7H13O3Si-
Molecular Weight173.26 g/mol
Exact Mass173.06
IUPAC Name1-trimethylsilyloxycyclopropane-1-carboxylate
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)/p-1
InChIKeyMWLURSKXEDQHGC-UHFFFAOYSA-M
XLogP0.12
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-carboxylate?
The IUPAC name of 1-trimethylsilyloxycyclopropane-1-carboxylate (CID 131712897) is 1-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for 1-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for 1-trimethylsilyloxycyclopropane-1-carboxylate is C[Si](C)(C)OC1(C(=O)[O-])CC1.
What is the InChIKey of 1-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is MWLURSKXEDQHGC-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-trimethylsilyloxycyclopropane-1-carboxylate?
1-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 173.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 131712897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).