ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

C17H32O2Si — CID 14608161

IUPACethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CC(C)(C)C[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-19-16(18)11-15-13-17(2,3)12-14(15)9-8-10-20(4,5)6/h8-9,14-15H,7,10-13H2,1-6H3/b9-8+/t14-,15+/m1/s1
InChIKeyQHXKXTWRMPYRJM-PQAPVRDISA-N
MW296.53 g/mol
LogP4.89
Rot. Bonds6

About ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (PubChem CID 14608161) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
PubChem CID14608161
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CC(C)(C)C[C@H]1/C=C/C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-19-16(18)11-15-13-17(2,3)12-14(15)9-8-10-20(4,5)6/h8-9,14-15H,7,10-13H2,1-6H3/b9-8+/t14-,15+/m1/s1
InChIKeyQHXKXTWRMPYRJM-PQAPVRDISA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.89
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 (1S,4S,5S)-8-methylidene-1-propan-2-ylspiro[4.5]dec-9-ene-4-carboxylate
CID 127026799
Ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 21922344
3-(Norborn-2-ene-5-carbonyloxy)propyltrimethoxysilane
CID 57647850
[1-[2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-5-methyl-3-oxocyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817518
[1-[(1S)-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-5-methyl-3-oxocyclopentyl]-4-fluorooctan-3-yl]oxy-dimethylsilanylium
CID 145817532
ethyl 3-[(3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]propanoate
CID 10914730
diethyl (1S,2R,6R,7Z,10Z)-5,5-di(propan-2-yl)-4-oxa-5-silatricyclo[9.3.0.02,6]tetradeca-7,10-diene-13,13-dicarboxylate
CID 101350464
5-Methyl-5-octyloxycarbonylnorborn-2-ene
CID 129761728
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
CID 134901015
ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901108
ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
CID 134949863
ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate
CID 134992317

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (CID 14608161) is ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is CCOC(=O)C[C@H]1CC(C)(C)C[C@H]1/C=C/C[Si](C)(C)C.
What is the InChIKey of ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
The InChIKey is QHXKXTWRMPYRJM-PQAPVRDISA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-19-16(18)11-15-13-17(2,3)12-14(15)9-8-10-20(4,5)6/h8-9,14-15H,7,10-13H2,1-6H3/b9-8+/t14-,15+/m1/s1.
What are the key properties of ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?
ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate has a molecular weight of 296.53 g/mol, XLogP of 4.89, 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)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 14608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).