[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate

C13H22O2Si — CID 10966588

IUPAC[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
SMILESC=C(C[Si](C)(C)C)C1=C[C@@H](OC(C)=O)CC1
InChIInChI=1S/C13H22O2Si/c1-10(9-16(3,4)5)12-6-7-13(8-12)15-11(2)14/h8,13H,1,6-7,9H2,2-5H3/t13-/m0/s1
InChIKeyUDFIUJDUUCADTH-ZDUSSCGKSA-N
MW238.40 g/mol
LogP3.53
Rot. Bonds4

About [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate

[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate (PubChem CID 10966588) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
PubChem CID10966588
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
SMILESC=C(C[Si](C)(C)C)C1=C[C@@H](OC(C)=O)CC1
InChIInChI=1S/C13H22O2Si/c1-10(9-16(3,4)5)12-6-7-13(8-12)15-11(2)14/h8,13H,1,6-7,9H2,2-5H3/t13-/m0/s1
InChIKeyUDFIUJDUUCADTH-ZDUSSCGKSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409
(3-acetyloxycyclopenten-1-yl) propanoate
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(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
CID 90261977
(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
CID 145260813
[(1R)-3-bromocyclohept-2-en-1-yl] acetate
CID 11333750
[(6R,8aS)-3,4,6,7,8,8a-hexahydro-2H-chromen-6-yl] acetate
CID 11074321
[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
(5-methyl-2,3-dihydrofuran-3-yl) acetate
CID 57066065
[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
CID 101022571
(3-iodocyclohex-2-en-1-yl) 2-methylprop-2-enoate
CID 176878239
(7-oxo-6-phenyl-3,4-dihydro-2H-oxepin-4-yl) acetate
CID 10422010
[(1R)-3-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl] acetate
CID 166439516

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate (CID 10966588) is [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate is C=C(C[Si](C)(C)C)C1=C[C@@H](OC(C)=O)CC1.
What is the InChIKey of [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate?
The InChIKey is UDFIUJDUUCADTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-10(9-16(3,4)5)12-6-7-13(8-12)15-11(2)14/h8,13H,1,6-7,9H2,2-5H3/t13-/m0/s1.
What are the key properties of [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate?
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate has a molecular weight of 238.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10966588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).