methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate

C13H24O3Si — CID 10978087

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10(11)12(14)15-4/h8,11H,7,9H2,1-6H3
InChIKeyZWJRDCKIOMLPGP-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds3

About methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate

methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate (PubChem CID 10978087) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
PubChem CID10978087
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10(11)12(14)15-4/h8,11H,7,9H2,1-6H3
InChIKeyZWJRDCKIOMLPGP-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
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

Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
Ethyl 2-propyl-2,5-dihydrofuran-3-carboxylate
CID 44240895
1-(5-oxo-2H-furan-4-yl)butyl acetate
CID 13902462
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentene-1-carboxylate
CID 10754540
dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
CID 66509186
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
CID 11044306
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
CID 11448683
Ethyl 5-trimethylsilyloxycyclopentene-1-carboxylate
CID 13929846
Cxiwfpulzuwnna-uhfffaoysa-
CID 13929855
ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
CID 10910481

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate (CID 10978087) is methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate is COC(=O)C1=CCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate?
The InChIKey is ZWJRDCKIOMLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10(11)12(14)15-4/h8,11H,7,9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate?
methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate is sourced from PubChem (CID 10978087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).