[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate

C15H28O3Si — CID 56925503

IUPAC[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
SMILESC=CCC(=O)O[C@@H](C=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-10-14(16)18-13(9-2)11-12-17-19(6,7)15(3,4)5/h8-9,13H,1-2,10-12H2,3-7H3/t13-/m0/s1
InChIKeyIQVLPDZBDBKIAH-ZDUSSCGKSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds8

About [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate

[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate (PubChem CID 56925503) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate.

Molecular Properties

Compound Name[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
PubChem CID56925503
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
SMILESC=CCC(=O)O[C@@H](C=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-10-14(16)18-13(9-2)11-12-17-19(6,7)15(3,4)5/h8-9,13H,1-2,10-12H2,3-7H3/t13-/m0/s1
InChIKeyIQVLPDZBDBKIAH-ZDUSSCGKSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-4-en-2-yl] prop-2-enoate
CID 101839469
[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
CID 134870694
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate?
The IUPAC name of [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate (CID 56925503) is [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate.
What is the SMILES notation for [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate?
The canonical SMILES for [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate is C=CCC(=O)O[C@@H](C=C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate?
The InChIKey is IQVLPDZBDBKIAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-10-14(16)18-13(9-2)11-12-17-19(6,7)15(3,4)5/h8-9,13H,1-2,10-12H2,3-7H3/t13-/m0/s1.
What are the key properties of [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate?
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate is sourced from PubChem (CID 56925503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).