[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate

C14H28O3Si — CID 58419839

IUPAC[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate
SMILESCCC(=O)O[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-13(15)17-12(2)10-9-11-16-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9-/t12-/m0/s1
InChIKeyCBXCZGDNELCKMN-PRDAAYKISA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds6

About [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate

[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate (PubChem CID 58419839) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate.

Molecular Properties

Compound Name[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate
PubChem CID58419839
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate
SMILESCCC(=O)O[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-13(15)17-12(2)10-9-11-16-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9-/t12-/m0/s1
InChIKeyCBXCZGDNELCKMN-PRDAAYKISA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate?
The IUPAC name of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate (CID 58419839) is [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate.
What is the SMILES notation for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate?
The canonical SMILES for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate is CCC(=O)O[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate?
The InChIKey is CBXCZGDNELCKMN-PRDAAYKISA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-13(15)17-12(2)10-9-11-16-18(6,7)14(3,4)5/h9-10,12H,8,11H2,1-7H3/b10-9-/t12-/m0/s1.
What are the key properties of [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate?
[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate is sourced from PubChem (CID 58419839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).