[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate

C15H30O5Si — CID 11001678

IUPAC[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
SMILESCC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-12(16)18-10-8-14(9-11-19-13(2)17)20-21(6,7)15(3,4)5/h14H,8-11H2,1-7H3
InChIKeyUWAZMLJIMNVXAR-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.28
Rot. Bonds8

About [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate

[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate (PubChem CID 11001678) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate.

Molecular Properties

Compound Name[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
PubChem CID11001678
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
SMILESCC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-12(16)18-10-8-14(9-11-19-13(2)17)20-21(6,7)15(3,4)5/h14H,8-11H2,1-7H3
InChIKeyUWAZMLJIMNVXAR-UHFFFAOYSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[Tert-butyl(dimethyl)silyl]oxypentyl acetate
CID 11334474
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 46236584
[3-[Ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate
CID 11120846
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
Qtmopnnkkfvitk-ziagygmssa-
CID 23245526
[(1R,3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 10314601
[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890637
4-[Tert-butyl(dimethyl)silyl]oxybutan-2-yl acetate
CID 75181679
3-[Tert-butyl(dimethyl)silyl]oxyhexyl acetate
CID 90296295
6-Triethoxysilylhexan-2-yl acetate
CID 141100051
[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate
CID 155648142

Frequently Asked Questions

What is the IUPAC name of [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate?
The IUPAC name of [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate (CID 11001678) is [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate.
What is the SMILES notation for [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate?
The canonical SMILES for [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate is CC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate?
The InChIKey is UWAZMLJIMNVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-12(16)18-10-8-14(9-11-19-13(2)17)20-21(6,7)15(3,4)5/h14H,8-11H2,1-7H3.
What are the key properties of [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate?
[5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate has a molecular weight of 318.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate is sourced from PubChem (CID 11001678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).