dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate

C16H24O4Si — CID 11278264

IUPACdimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H]1CCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C16H24O4Si/c1-19-15(17)14(16(18)20-2)13-9-7-6-8-12(13)10-11-21(3,4)5/h8,13-14H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeyYPWDRHDXORYFGN-ZDUSSCGKSA-N
MW308.45 g/mol
LogP2.56
Rot. Bonds3

About dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate

dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate (PubChem CID 11278264) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate
PubChem CID11278264
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Namedimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H]1CCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C16H24O4Si/c1-19-15(17)14(16(18)20-2)13-9-7-6-8-12(13)10-11-21(3,4)5/h8,13-14H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeyYPWDRHDXORYFGN-ZDUSSCGKSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(4S)-9-trimethylsilylnona-1,2-dien-8-yn-4-yl]propanedioate
CID 134947378
diethyl 2-[(E)-3-hexyldodec-3-en-5-yn-2-yl]propanedioate
CID 100968594
dimethyl 2-[(E)-1-trimethylsilyloct-1-en-3-yl]propanedioate
CID 134900427
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
dimethyl 2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]-2-prop-2-ynylpropanedioate
CID 135071651
Dimethyl (3-methylcyclohex-2-en-1-yl)propanedioate
CID 71399274
1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate
CID 11012847
dimethyl 2-[(1S,5R)-1-deuterio-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 10563765
dimethyl 2-[(1R,5S)-3-deuterio-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]propanedioate
CID 10730701
diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
CID 11198669
Dimethyl 2-prop-2-ynyl-2-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propanedioate
CID 11281647
dimethyl 2-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11391476

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate?
The IUPAC name of dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate (CID 11278264) is dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate is COC(=O)C(C(=O)OC)[C@H]1CCCC=C1C#C[Si](C)(C)C.
What is the InChIKey of dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate?
The InChIKey is YPWDRHDXORYFGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-19-15(17)14(16(18)20-2)13-9-7-6-8-12(13)10-11-21(3,4)5/h8,13-14H,6-7,9H2,1-5H3/t13-/m0/s1.
What are the key properties of dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate?
dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate has a molecular weight of 308.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(1R)-2-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]propanedioate is sourced from PubChem (CID 11278264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).