ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

C14H28O3Si — CID 141450623

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-8-9-12(10-11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyOMCXSNKWYBUKCJ-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds4

About ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (PubChem CID 141450623) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
PubChem CID141450623
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)11-8-9-12(10-11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyOMCXSNKWYBUKCJ-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
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

3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 59619451
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (CID 141450623) is ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is CCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The InChIKey is OMCXSNKWYBUKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-16-13(15)11-8-9-12(10-11)17-18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 141450623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).