1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one

C18H36O3Si — CID 25132500

IUPAC1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one
SMILESCCCC(=O)C[C@@H]1CC[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O3Si/c1-8-9-15(19)12-16-10-11-17(21-16)14(2)13-20-22(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3/t14-,16-,17+/m0/s1
InChIKeyYOOMGLRWHMRKKP-BHYGNILZSA-N
MW328.57 g/mol
LogP4.95
Rot. Bonds8

About 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one

1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one (PubChem CID 25132500) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one.

Molecular Properties

Compound Name1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one
PubChem CID25132500
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one
SMILESCCCC(=O)C[C@@H]1CC[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H36O3Si/c1-8-9-15(19)12-16-10-11-17(21-16)14(2)13-20-22(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3/t14-,16-,17+/m0/s1
InChIKeyYOOMGLRWHMRKKP-BHYGNILZSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,1S)-1-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxynonadec-4-en-3-one
CID 57409946
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
CID 139777190
tert-butyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]propanoate
CID 11161978
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one?
The IUPAC name of 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one (CID 25132500) is 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one.
What is the SMILES notation for 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one?
The canonical SMILES for 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one is CCCC(=O)C[C@@H]1CC[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one?
The InChIKey is YOOMGLRWHMRKKP-BHYGNILZSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-8-9-15(19)12-16-10-11-17(21-16)14(2)13-20-22(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3/t14-,16-,17+/m0/s1.
What are the key properties of 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one?
1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one has a molecular weight of 328.57 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxolan-2-yl]pentan-2-one is sourced from PubChem (CID 25132500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).