[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate

C10H20O2Si — CID 15049400

IUPAC[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-10(11)12-9(2)7-8-13(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m1/s1
InChIKeyFNELPORPSLJQMJ-FCZSHJHJSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds4

About [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate

[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate (PubChem CID 15049400) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate.

Molecular Properties

Compound Name[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
PubChem CID15049400
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-10(11)12-9(2)7-8-13(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m1/s1
InChIKeyFNELPORPSLJQMJ-FCZSHJHJSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.76
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

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Frequently Asked Questions

What is the IUPAC name of [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate?
The IUPAC name of [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate (CID 15049400) is [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate.
What is the SMILES notation for [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate?
The canonical SMILES for [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate is CCC(=O)O[C@H](C)/C=C/[Si](C)(C)C.
What is the InChIKey of [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate?
The InChIKey is FNELPORPSLJQMJ-FCZSHJHJSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-10(11)12-9(2)7-8-13(3,4)5/h7-9H,6H2,1-5H3/b8-7+/t9-/m1/s1.
What are the key properties of [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate?
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate has a molecular weight of 200.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate is sourced from PubChem (CID 15049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).