[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate

C13H28O3Si — CID 56971428

IUPAC[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(16-12(2)14)9-8-10-15-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyQVODZMMTGOFEIU-LLVKDONJSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds6

About [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate

[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate (PubChem CID 56971428) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
PubChem CID56971428
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-11(16-12(2)14)9-8-10-15-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyQVODZMMTGOFEIU-LLVKDONJSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
Ethyl 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoate
CID 11346650
[(2R,4S)-4-methyl-5-trimethylsilyloxypentan-2-yl] acetate
CID 14979375
[5-Acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
CID 11001678
4-(Tert-butyldimethylsiloxy)butyl acetate
CID 15253868
(lR,3S)-(+)-3-tert-butyldimethylsilyloxycyclopentanyl acetate
CID 54211622
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211623
[3-[Tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211624
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 58853132
CID 60085508
CID 60085508

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate?
The IUPAC name of [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate (CID 56971428) is [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate.
What is the SMILES notation for [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate?
The canonical SMILES for [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate is CC(=O)O[C@H](C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate?
The InChIKey is QVODZMMTGOFEIU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-11(16-12(2)14)9-8-10-15-17(6,7)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate?
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate is sourced from PubChem (CID 56971428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).