[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate

C15H25ClO2Si — CID 10990253

IUPAC[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate
SMILESCCCCC[C@H](/C=C/CCl)OC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H25ClO2Si/c1-5-6-7-9-14(10-8-12-16)18-15(17)11-13-19(2,3)4/h8,10,14H,5-7,9,12H2,1-4H3/b10-8+/t14-/m1/s1
InChIKeyLTSTUSSKXKKKJS-QSYFUGGGSA-N
MW300.90 g/mol
LogP4.15
Rot. Bonds7

About [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate

[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate (PubChem CID 10990253) has the molecular formula C15H25ClO2Si and a molecular weight of 300.90 g/mol. Its IUPAC name is [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate.

Molecular Properties

Compound Name[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate
PubChem CID10990253
Molecular FormulaC15H25ClO2Si
Molecular Weight300.90 g/mol
Exact Mass300.13
IUPAC Name[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate
SMILESCCCCC[C@H](/C=C/CCl)OC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H25ClO2Si/c1-5-6-7-9-14(10-8-12-16)18-15(17)11-13-19(2,3)4/h8,10,14H,5-7,9,12H2,1-4H3/b10-8+/t14-/m1/s1
InChIKeyLTSTUSSKXKKKJS-QSYFUGGGSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Trimethylsilylcyclohept-2-en-1-yl) acetate
CID 10398807

Frequently Asked Questions

What is the IUPAC name of [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate?
The IUPAC name of [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate (CID 10990253) is [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate.
What is the SMILES notation for [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate?
The canonical SMILES for [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate is CCCCC[C@H](/C=C/CCl)OC(=O)C#C[Si](C)(C)C.
What is the InChIKey of [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate?
The InChIKey is LTSTUSSKXKKKJS-QSYFUGGGSA-N. The full InChI is InChI=1S/C15H25ClO2Si/c1-5-6-7-9-14(10-8-12-16)18-15(17)11-13-19(2,3)4/h8,10,14H,5-7,9,12H2,1-4H3/b10-8+/t14-/m1/s1.
What are the key properties of [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate?
[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate has a molecular weight of 300.90 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate is sourced from PubChem (CID 10990253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).