(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one

C15H30O3Si — CID 134916291

IUPAC(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)OC1[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-11-8-9-13(16)18-14(11)12(2)10-17-19(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14?/m1/s1
InChIKeyQEWNOKISBRUJNT-QAYQGLBKSA-N
MW286.49 g/mol
LogP3.99
Rot. Bonds4

About (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one

(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one (PubChem CID 134916291) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one.

Molecular Properties

Compound Name(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one
PubChem CID134916291
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)OC1[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-11-8-9-13(16)18-14(11)12(2)10-17-19(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14?/m1/s1
InChIKeyQEWNOKISBRUJNT-QAYQGLBKSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.99
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

10-Methyldodecan-5-olide
CID 21778196
6-Ethyltetrahydro-3,5-dimethyl-2H-pyran-2-one
CID 14015767
(3s,5r,6s)-3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 10012333
Invictolide
CID 190558
5-Methyl-6-(propan-2-yl)oxan-2-one
CID 13876854
(3R,5S,6R)-3,5-dimethyl-6-[(2S)-pentan-2-yl]oxan-2-one
CID 13494127
3,6,7-Tri-epi-invictolide
CID 13494133
(4s,5s)-4-Methyl-5-decanolide
CID 11194730
3,6-Diethyltetrahydro-2H-pyran-2-one
CID 11309642
(5S,6R)-5-methyl-6-pentyloxan-2-one
CID 16744446
4-(tert-Butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2H-pyran-2-one
CID 130361
(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
CID 10849827

Frequently Asked Questions

What is the IUPAC name of (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one?
The IUPAC name of (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one (CID 134916291) is (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one.
What is the SMILES notation for (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one?
The canonical SMILES for (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one is C[C@@H]1CCC(=O)OC1[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one?
The InChIKey is QEWNOKISBRUJNT-QAYQGLBKSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-11-8-9-13(16)18-14(11)12(2)10-17-19(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14?/m1/s1.
What are the key properties of (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one?
(5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one has a molecular weight of 286.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyloxan-2-one is sourced from PubChem (CID 134916291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).