2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid

C12H22O3Si — CID 106323012

IUPAC2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
SMILESC[Si](C)(C)CC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C12H22O3Si/c1-16(2,3)8-12(11(13)14)6-7-15-10(12)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyBFUNFWZZEOXDEZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid (PubChem CID 106323012) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
PubChem CID106323012
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
SMILESC[Si](C)(C)CC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C12H22O3Si/c1-16(2,3)8-12(11(13)14)6-7-15-10(12)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyBFUNFWZZEOXDEZ-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.59
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 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid (CID 106323012) is 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid is C[Si](C)(C)CC1(C(=O)O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The InChIKey is BFUNFWZZEOXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-16(2,3)8-12(11(13)14)6-7-15-10(12)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid has a molecular weight of 242.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 106323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).