1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate

C17H30O4Si — CID 11012847

IUPAC1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate
SMILESCCCCCC1=CCC[C@@H]1C(C(=O)OC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-6-7-8-10-13-11-9-12-14(13)15(16(18)20-2)17(19)21-22(3,4)5/h11,14-15H,6-10,12H2,1-5H3/t14-,15?/m0/s1
InChIKeyJYFKFQSPLUEUHW-MLCCFXAWSA-N
MW326.51 g/mol
LogP4.07
Rot. Bonds8

About 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate

1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate (PubChem CID 11012847) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate.

Molecular Properties

Compound Name1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate
PubChem CID11012847
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate
SMILESCCCCCC1=CCC[C@@H]1C(C(=O)OC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-6-7-8-10-13-11-9-12-14(13)15(16(18)20-2)17(19)21-22(3,4)5/h11,14-15H,6-10,12H2,1-5H3/t14-,15?/m0/s1
InChIKeyJYFKFQSPLUEUHW-MLCCFXAWSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
dimethyl 2-[(1R)-cyclohept-2-en-1-yl]propanedioate
CID 11064135
dimethyl 2-[(1R,2S)-2-butylcyclopent-3-en-1-yl]propanedioate
CID 11448184
(s)-Dimethyl 2-(cyclohept-2-en-1-yl)malonate
CID 14970724
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
CID 134833524
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 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 135068431
Diethyl 2-(3-methylcyclohept-3-en-1-yl)propanedioate
CID 138966495
diethyl 2-[(3Z)-3-methylcyclooct-3-en-1-yl]propanedioate
CID 162397528
Diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-(2-methylprop-2-enyl)propanedioate
CID 176435360

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate?
The IUPAC name of 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate (CID 11012847) is 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate.
What is the SMILES notation for 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate?
The canonical SMILES for 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate is CCCCCC1=CCC[C@@H]1C(C(=O)OC)C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate?
The InChIKey is JYFKFQSPLUEUHW-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-6-7-8-10-13-11-9-12-14(13)15(16(18)20-2)17(19)21-22(3,4)5/h11,14-15H,6-10,12H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate?
1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate has a molecular weight of 326.51 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 3-O-trimethylsilyl 2-[(1R)-2-pentylcyclopent-2-en-1-yl]propanedioate is sourced from PubChem (CID 11012847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).