3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid

C12H24O3Si — CID 67420660

IUPAC3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
SMILESCCCC[Si](C)(C)OC1CCC(C(=O)O)C1
InChIInChI=1S/C12H24O3Si/c1-4-5-8-16(2,3)15-11-7-6-10(9-11)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyRGRXOQMRDMKYOS-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.26
Rot. Bonds6

About 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid

3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid (PubChem CID 67420660) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
PubChem CID67420660
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
SMILESCCCC[Si](C)(C)OC1CCC(C(=O)O)C1
InChIInChI=1S/C12H24O3Si/c1-4-5-8-16(2,3)15-11-7-6-10(9-11)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyRGRXOQMRDMKYOS-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.26
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 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid (CID 67420660) is 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid is CCCC[Si](C)(C)OC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid?
The InChIKey is RGRXOQMRDMKYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-4-5-8-16(2,3)15-11-7-6-10(9-11)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid?
3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid has a molecular weight of 244.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 67420660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).