ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate

C15H28O2Si — CID 101270027

IUPACethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(C)=C(CC)CC1C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-9-13(10-18(4,5)6)14(11(12)3)15(16)17-8-2/h13-14H,7-10H2,1-6H3
InChIKeyDXRHTJPKFFMUAV-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.25
Rot. Bonds5

About ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate

ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate (PubChem CID 101270027) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate
PubChem CID101270027
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nameethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(C)=C(CC)CC1C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-9-13(10-18(4,5)6)14(11(12)3)15(16)17-8-2/h13-14H,7-10H2,1-6H3
InChIKeyDXRHTJPKFFMUAV-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 20236378
Ethyl (2R)-2-methyl-5-(propan-2-ylidene)cyclopentane-1-carboxylate
CID 11830361
ethyl 4-[tert-butyl(dimethyl)silyl]-5-oxo-2,3,4,6-tetrahydro-1H-pentalene-2-carboxylate
CID 10403036
butyl (1R,6R)-6-butyl-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 13465313
[4-[tert-butyl(dimethyl)silyl]-5-oxo-2,3,4,6-tetrahydro-1H-pentalen-2-yl]methyl acetate
CID 15364597
Ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate
CID 86179204
Ethyl 2-butyl-3-hexylcycloprop-2-ene-1-carboxylate
CID 134888001
CID 134888111
CID 134888111
CID 134888409
CID 134888409
Ethyl 2-butyl-3-pentylcycloprop-2-ene-1-carboxylate
CID 134897966
methyl 2-[(1R,2R)-2-[(E)-2-methyl-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901089

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate (CID 101270027) is ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate is CCOC(=O)C1C(C)=C(CC)CC1C[Si](C)(C)C.
What is the InChIKey of ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate?
The InChIKey is DXRHTJPKFFMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-12-9-13(10-18(4,5)6)14(11(12)3)15(16)17-8-2/h13-14H,7-10H2,1-6H3.
What are the key properties of ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate?
ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate has a molecular weight of 268.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-methyl-5-(trimethylsilylmethyl)cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 101270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).