3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid

C32H47NO4Si — CID 18669557

IUPAC3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)CC(NC(C)=O)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-7-24(8-2)19-30(33-23(3)34)29-21-25(31(35)36)20-26(29)22-37-38(32(4,5)6,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,29-30H,7-8,19-22H2,1-6H3,(H,33,34)(H,35,36)
InChIKeyMWMSDMJIXGMYOV-UHFFFAOYSA-N
MW537.82 g/mol
LogP5.62
Rot. Bonds12

About 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid

3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 18669557) has the molecular formula C32H47NO4Si and a molecular weight of 537.82 g/mol. Its IUPAC name is 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
PubChem CID18669557
Molecular FormulaC32H47NO4Si
Molecular Weight537.82 g/mol
Exact Mass537.33
IUPAC Name3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)CC(NC(C)=O)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H47NO4Si/c1-7-24(8-2)19-30(33-23(3)34)29-21-25(31(35)36)20-26(29)22-37-38(32(4,5)6,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,29-30H,7-8,19-22H2,1-6H3,(H,33,34)(H,35,36)
InChIKeyMWMSDMJIXGMYOV-UHFFFAOYSA-N
XLogP5.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.82
LogP ≤ 55.62
H-Bond Donors ≤ 52
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 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid (CID 18669557) is 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid is CCC(CC)CC(NC(C)=O)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MWMSDMJIXGMYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO4Si/c1-7-24(8-2)19-30(33-23(3)34)29-21-25(31(35)36)20-26(29)22-37-38(32(4,5)6,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,29-30H,7-8,19-22H2,1-6H3,(H,33,34)(H,35,36).
What are the key properties of 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 537.82 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-3-ethylpentyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 18669557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).