cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C16H32O3Si — CID 76687594

IUPACcyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C16H32O3Si/c1-13(15(17)19-14-9-7-8-10-14)11-12-18-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyOCYITHUEYXBAAQ-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.52
Rot. Bonds6

About cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 76687594) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Namecyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID76687594
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namecyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C16H32O3Si/c1-13(15(17)19-14-9-7-8-10-14)11-12-18-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyOCYITHUEYXBAAQ-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
CID 154722513
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 139252727
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609
cyclopentyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 58150168
1,5-Bis(trimethylsilyl)pentan-3-yl 2-methylbutanoate
CID 59881167
Ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 141638109
Propan-2-yl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 156726777
Cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
CID 156726802
Cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 167430541

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 76687594) is cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is CC(CCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is OCYITHUEYXBAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-13(15(17)19-14-9-7-8-10-14)11-12-18-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 300.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 76687594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).