ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate

C16H32O3Si — CID 163278309

IUPACethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)14-12-13(14)10-8-9-11-19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyYIEMUDMNXGJCGQ-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.38
Rot. Bonds8

About ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate

ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate (PubChem CID 163278309) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
PubChem CID163278309
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-18-15(17)14-12-13(14)10-8-9-11-19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyYIEMUDMNXGJCGQ-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
ethyl 2-(8-chlorooctyl)cyclopropane-1-carboxylate
CID 139889614
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 59619451
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
CID 10660119
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate (CID 163278309) is ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate?
The InChIKey is YIEMUDMNXGJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-18-15(17)14-12-13(14)10-8-9-11-19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate?
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate has a molecular weight of 300.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 163278309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).