methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate

C23H44O5Si — CID 21296237

IUPACmethyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate
SMILESCCCCC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC
InChIInChI=1S/C23H44O5Si/c1-8-9-13-17-20(28-29(6,7)23(2,3)4)16-19(25)22(17)18(24)14-11-10-12-15-21(26)27-5/h17-18,20,22,24H,8-16H2,1-7H3
InChIKeyVJVQQNSGTRYVLF-UHFFFAOYSA-N
MW428.69 g/mol
LogP5.26
Rot. Bonds12

About methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate

methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate (PubChem CID 21296237) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate.

Molecular Properties

Compound Namemethyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate
PubChem CID21296237
Molecular FormulaC23H44O5Si
Molecular Weight428.69 g/mol
Exact Mass428.30
IUPAC Namemethyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate
SMILESCCCCC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC
InChIInChI=1S/C23H44O5Si/c1-8-9-13-17-20(28-29(6,7)23(2,3)4)16-19(25)22(17)18(24)14-11-10-12-15-21(26)27-5/h17-18,20,22,24H,8-16H2,1-7H3
InChIKeyVJVQQNSGTRYVLF-UHFFFAOYSA-N
XLogP5.26
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate?
The IUPAC name of methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate (CID 21296237) is methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate.
What is the SMILES notation for methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate?
The canonical SMILES for methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate is CCCCC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC.
What is the InChIKey of methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate?
The InChIKey is VJVQQNSGTRYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-8-9-13-17-20(28-29(6,7)23(2,3)4)16-19(25)22(17)18(24)14-11-10-12-15-21(26)27-5/h17-18,20,22,24H,8-16H2,1-7H3.
What are the key properties of methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate?
methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate has a molecular weight of 428.69 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]-7-hydroxyheptanoate is sourced from PubChem (CID 21296237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).