[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C16H30O3Si — CID 123723735

IUPAC[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC[C@@H](C)OC(=O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-11-13(3)18-15(17)12-14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1
InChIKeyTYAWYVNLVGAYDW-KGLIPLIRSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds8

About [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 123723735) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Name[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID123723735
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC[C@@H](C)OC(=O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-11-13(3)18-15(17)12-14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1
InChIKeyTYAWYVNLVGAYDW-KGLIPLIRSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
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 [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 123723735) is [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CC[C@@H](C)OC(=O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is TYAWYVNLVGAYDW-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-11-13(3)18-15(17)12-14(10-2)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1.
What are the key properties of [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 123723735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).