(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid

C18H34O5Si — CID 58520779

About (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid

(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 58520779) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
• PubChem CID: 58520779
• Molecular Formula: C18H34O5Si
• Molecular Weight: 358.55 g/mol
• Exact Mass: 358.22
• IUPAC Name: (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
• SMILES: CC(C)(C)OC(=O)C[C@@H]1C[C@H](C(=O)O)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C18H34O5Si/c1-17(2,3)22-15(19)11-12-9-13(16(20)21)10-14(12)23-24(7,8)18(4,5)6/h12-14H,9-11H2,1-8H3,(H,20,21)/t12-,13-,14-/m0/s1
• InChIKey: CYBRPGORHSMUCL-IHRRRGAJSA-N
• XLogP: 4.22
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The IUPAC name of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 58520779) is (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)C[C@@H]1C[C@H](C(=O)O)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

The InChIKey is CYBRPGORHSMUCL-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-17(2,3)22-15(19)11-12-9-13(16(20)21)10-14(12)23-24(7,8)18(4,5)6/h12-14H,9-11H2,1-8H3,(H,20,21)/t12-,13-,14-/m0/s1.

What are the key properties of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?

(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 358.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58520779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).