ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate

C14H28O3Si — CID 173489145

IUPACethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate
SMILESCCOC(=O)CC1CC(C)CC1OCCC[SiH2]C
InChIInChI=1S/C14H28O3Si/c1-4-16-14(15)10-12-8-11(2)9-13(12)17-6-5-7-18-3/h11-13H,4-10,18H2,1-3H3
InChIKeyDFEMBPFQPGEEJG-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.40
Rot. Bonds8

About ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate

ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate (PubChem CID 173489145) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate
PubChem CID173489145
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate
SMILESCCOC(=O)CC1CC(C)CC1OCCC[SiH2]C
InChIInChI=1S/C14H28O3Si/c1-4-16-14(15)10-12-8-11(2)9-13(12)17-6-5-7-18-3/h11-13H,4-10,18H2,1-3H3
InChIKeyDFEMBPFQPGEEJG-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.40
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

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CID 102160537
ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
CID 174843996
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate
CID 54404876
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate
CID 97035691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate (CID 173489145) is ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate is CCOC(=O)CC1CC(C)CC1OCCC[SiH2]C.
What is the InChIKey of ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate?
The InChIKey is DFEMBPFQPGEEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-4-16-14(15)10-12-8-11(2)9-13(12)17-6-5-7-18-3/h11-13H,4-10,18H2,1-3H3.
What are the key properties of ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate?
ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate has a molecular weight of 272.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate is sourced from PubChem (CID 173489145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).