ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate

C20H34O2Si — CID 134949863

IUPACethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
SMILESC=C1[C@@H](CCC#C[Si](C)(C)C)C(C)(C)C[C@]1(C)CC(=O)OCC
InChIInChI=1S/C20H34O2Si/c1-9-22-18(21)14-20(5)15-19(3,4)17(16(20)2)12-10-11-13-23(6,7)8/h17H,2,9-10,12,14-15H2,1,3-8H3/t17-,20+/m1/s1
InChIKeyVHILHMDDLVMGNJ-XLIONFOSSA-N
MW334.58 g/mol
LogP5.21
Rot. Bonds5

About ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate

ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate (PubChem CID 134949863) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
PubChem CID134949863
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Nameethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
SMILESC=C1[C@@H](CCC#C[Si](C)(C)C)C(C)(C)C[C@]1(C)CC(=O)OCC
InChIInChI=1S/C20H34O2Si/c1-9-22-18(21)14-20(5)15-19(3,4)17(16(20)2)12-10-11-13-23(6,7)8/h17H,2,9-10,12,14-15H2,1,3-8H3/t17-,20+/m1/s1
InChIKeyVHILHMDDLVMGNJ-XLIONFOSSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.21
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate with MolForge

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Related Compounds

ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 14608161
ethyl 2-[(2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 135049386
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
(E)-1,2-Cyclopentanedicarboxylic acid, 3,3-dimethyl-4-trimethylsilylmethylene-, diethyl ester
CID 5366458
Ethyl 3-but-3-enyl-2-oxo-3-(4-trimethylsilylbut-3-ynyl)cyclopentane-1-carboxylate
CID 11067633
trans-methyl (1S,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 101400105
Diethyl 3-methylidene-4-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentane-1,1-dicarboxylate
CID 101476252
trans-methyl (1S,2R)-2-methyl-1-[(2R)-3-[tri(propan-2-yl)silyloxymethyl]but-3-en-2-yl]cyclopentane-1-carboxylate
CID 101854200
diethyl 2-(4-methylpent-4-en-2-ynyl)-2-[(2E)-2-[tri(propan-2-yl)silyloxymethylidene]cyclopentyl]propanedioate
CID 177386527

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate (CID 134949863) is ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate is C=C1[C@@H](CCC#C[Si](C)(C)C)C(C)(C)C[C@]1(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate?
The InChIKey is VHILHMDDLVMGNJ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-9-22-18(21)14-20(5)15-19(3,4)17(16(20)2)12-10-11-13-23(6,7)8/h17H,2,9-10,12,14-15H2,1,3-8H3/t17-,20+/m1/s1.
What are the key properties of ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate?
ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate has a molecular weight of 334.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate is sourced from PubChem (CID 134949863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).