1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C17H34O5Si — CID 58813334

IUPAC1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCCCOC(=O)C[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-8-10-11-21-16(19)13-14(12-15(18)20-9-2)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3/t14-/m1/s1
InChIKeyUOHKISCGKVCWLH-CQSZACIVSA-N
MW346.54 g/mol
LogP4.06
Rot. Bonds10

About 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 58813334) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID58813334
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCCCCOC(=O)C[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-8-10-11-21-16(19)13-14(12-15(18)20-9-2)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3/t14-/m1/s1
InChIKeyUOHKISCGKVCWLH-CQSZACIVSA-N
XLogP4.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 58813334) is 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is CCCCOC(=O)C[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is UOHKISCGKVCWLH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-8-10-11-21-16(19)13-14(12-15(18)20-9-2)22-23(6,7)17(3,4)5/h14H,8-13H2,1-7H3/t14-/m1/s1.
What are the key properties of 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 346.54 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-butyl 5-O-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 58813334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).