[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate

C18H30O2Si — CID 11278198

IUPAC[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C18H30O2Si/c1-13(2)21(14(3)4,15(5)6)11-10-17-8-9-18(12-17)20-16(7)19/h12-15,18H,8-9H2,1-7H3/t18-/m1/s1
InChIKeyAAVNCIKWCDXSLX-GOSISDBHSA-N
MW306.52 g/mol
LogP4.86
Rot. Bonds4

About [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate

[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate (PubChem CID 11278198) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate
PubChem CID11278198
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CC1
InChIInChI=1S/C18H30O2Si/c1-13(2)21(14(3)4,15(5)6)11-10-17-8-9-18(12-17)20-16(7)19/h12-15,18H,8-9H2,1-7H3/t18-/m1/s1
InChIKeyAAVNCIKWCDXSLX-GOSISDBHSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
[(2Z,5E)-3-(4-triethylsilylbuta-1,3-diynyl)trideca-2,5-dienyl] acetate
CID 16720381
[1-[3-[Tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-4,4-dimethylhept-6-en-1-yn-3-yl] acetate
CID 42611999
(3-Ethynylcyclopent-2-en-1-yl) acetate
CID 134898016
methyl (2E)-8-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethylundeca-2,9-dien-4-ynoate
CID 134969842
(3-Methylcyclohex-2-en-1-yl) 2-methyl-5-trimethylsilylpent-4-ynoate
CID 135028459
[(Z)-3-methylidene-4-(2-triethylsilylethynyl)dodec-4-en-2-yl] acetate
CID 135068120
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528
2-butyl-3-(2-trimethylsilylethynyl)-2H-furan-5-one
CID 10879132
ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclopentylidene]acetate
CID 14435493
2-butyl-3-hex-1-ynyl-2H-furan-5-one
CID 15864899
[(Z)-4-butyldec-3-en-5-yn-2-yl] acetate
CID 53466774

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate (CID 11278198) is [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)CC1.
What is the InChIKey of [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate?
The InChIKey is AAVNCIKWCDXSLX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-13(2)21(14(3)4,15(5)6)11-10-17-8-9-18(12-17)20-16(7)19/h12-15,18H,8-9H2,1-7H3/t18-/m1/s1.
What are the key properties of [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate?
[(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate has a molecular weight of 306.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11278198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).