(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one

C17H34O6Si — CID 18657608

IUPAC(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
SMILESCOCCOCO[C@H]1COC(=O)[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)23-9-7-8-14-15(12-21-16(14)18)22-13-20-11-10-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m0/s1
InChIKeyLWJBZGCEBABLLZ-GJZGRUSLSA-N
MW362.54 g/mol
LogP2.97
Rot. Bonds11

About (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one

(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one (PubChem CID 18657608) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
PubChem CID18657608
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
SMILESCOCCOCO[C@H]1COC(=O)[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)23-9-7-8-14-15(12-21-16(14)18)22-13-20-11-10-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m0/s1
InChIKeyLWJBZGCEBABLLZ-GJZGRUSLSA-N
XLogP2.97
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The IUPAC name of (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one (CID 18657608) is (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one.
What is the SMILES notation for (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The canonical SMILES for (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one is COCCOCO[C@H]1COC(=O)[C@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The InChIKey is LWJBZGCEBABLLZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)23-9-7-8-14-15(12-21-16(14)18)22-13-20-11-10-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one?
(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one has a molecular weight of 362.54 g/mol, XLogP of 2.97, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one is sourced from PubChem (CID 18657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).