(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one

C19H36O4Si — CID 11646124

IUPAC(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C19H36O4Si/c1-15(22-18-13-12-17(20)16(2)23-18)11-9-8-10-14-21-24(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3/t15-,16+,18-/m1/s1
InChIKeyAJWNVDXDTAQCRH-SOLBZPMBSA-N
MW356.58 g/mol
LogP4.84
Rot. Bonds9

About (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one

(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one (PubChem CID 11646124) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one
PubChem CID11646124
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one
SMILESC[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C19H36O4Si/c1-15(22-18-13-12-17(20)16(2)23-18)11-9-8-10-14-21-24(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3/t15-,16+,18-/m1/s1
InChIKeyAJWNVDXDTAQCRH-SOLBZPMBSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
CID 134844717
[3-[4-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)butyl]-5-oxo-2H-pyran-2-yl] acetate
CID 154706950
2-dodecoxy-6-methyl-2H-pyran-5-one
CID 13195911
6-(Dodecyloxy)-2-propyl-2H-pyran-3(6H)-one
CID 13195912
2-dodecoxy-6-ethyl-2H-pyran-5-one
CID 20036400
2-decoxy-6-propyl-2H-pyran-5-one
CID 20036401
2-hexadecoxy-6-propyl-2H-pyran-5-one
CID 20036403
tert-butyl [(2R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 24778249
(2R,6S)-2-dodecoxy-6-methyl-2H-pyran-5-one
CID 50917644
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
CID 101131965
tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 101454596
ethyl (E,4S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)dodec-2-enoate
CID 101518151

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one (CID 11646124) is (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one is C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)O[C@H]1C=CC(=O)[C@H](C)O1.
What is the InChIKey of (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one?
The InChIKey is AJWNVDXDTAQCRH-SOLBZPMBSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-15(22-18-13-12-17(20)16(2)23-18)11-9-8-10-14-21-24(6,7)19(3,4)5/h12-13,15-16,18H,8-11,14H2,1-7H3/t15-,16+,18-/m1/s1.
What are the key properties of (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one?
(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one has a molecular weight of 356.58 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 11646124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).