(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid

C15H28O5Si — CID 59619426

IUPAC(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C15H28O5Si/c1-7-19-14(18)12-9-10(8-11(12)13(16)17)20-21(5,6)15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,17)/t10-,11-,12-/m1/s1
InChIKeyKVGLWZWRAFWCFS-IJLUTSLNSA-N
MW316.47 g/mol
LogP3.05
Rot. Bonds5

About (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid

(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 59619426) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
PubChem CID59619426
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C15H28O5Si/c1-7-19-14(18)12-9-10(8-11(12)13(16)17)20-21(5,6)15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,17)/t10-,11-,12-/m1/s1
InChIKeyKVGLWZWRAFWCFS-IJLUTSLNSA-N
XLogP3.05
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid (CID 59619426) is (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid is CCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is KVGLWZWRAFWCFS-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-7-19-14(18)12-9-10(8-11(12)13(16)17)20-21(5,6)15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,17)/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid?
(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 316.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 59619426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).