2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C18H34O6Si — CID 10872468

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-10-12(19)14-15(24-18(6,7)23-14)13-11-20-17(4,5)22-13/h13-15H,10-11H2,1-9H3/t13-,14-,15-/m1/s1
InChIKeyQSWSZSLQEUFVRD-RBSFLKMASA-N
MW374.55 g/mol
LogP3.25
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 10872468) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID10872468
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-10-12(19)14-15(24-18(6,7)23-14)13-11-20-17(4,5)22-13/h13-15H,10-11H2,1-9H3/t13-,14-,15-/m1/s1
InChIKeyQSWSZSLQEUFVRD-RBSFLKMASA-N
XLogP3.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 10872468) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is QSWSZSLQEUFVRD-RBSFLKMASA-N. The full InChI is InChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)21-10-12(19)14-15(24-18(6,7)23-14)13-11-20-17(4,5)22-13/h13-15H,10-11H2,1-9H3/t13-,14-,15-/m1/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 374.55 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 10872468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).