ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

C15H28O2Si — CID 134901108

IUPACethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-5-17-15(16)12-14-9-6-8-13(14)10-7-11-18(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-,14+/m0/s1
InChIKeyOFZYDKTXGWIMKY-QZVITLNNSA-N
MW268.47 g/mol
LogP4.25
Rot. Bonds6

About ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (PubChem CID 134901108) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
PubChem CID134901108
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nameethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-5-17-15(16)12-14-9-6-8-13(14)10-7-11-18(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-,14+/m0/s1
InChIKeyOFZYDKTXGWIMKY-QZVITLNNSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362
propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 15452639
ethyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14311118
Butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15608148
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-methyl-, ethyl ester
CID 106865
ethyl (2S,3S)-2-ethyl-3-[(E)-prop-1-enyl]heptanoate
CID 24881638
Octyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 12166044
Ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
CID 53804604
3-(Norborn-2-ene-5-carbonyloxy)propyltrimethoxysilane
CID 57647850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (CID 134901108) is ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is CCOC(=O)C[C@H]1CCC[C@H]1/C=C/C[Si](C)(C)C.
What is the InChIKey of ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The InChIKey is OFZYDKTXGWIMKY-QZVITLNNSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-5-17-15(16)12-14-9-6-8-13(14)10-7-11-18(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-,14+/m0/s1.
What are the key properties of ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate has a molecular weight of 268.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 134901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).