(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one

C22H44O4Si2 — CID 11683373

IUPAC(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](C[C@@H](C[C@H]1CC=CC(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-17(25-27(8,9)21(2,3)4)15-19(26-28(10,11)22(5,6)7)16-18-13-12-14-20(23)24-18/h12,14,17-19H,13,15-16H2,1-11H3/t17-,18+,19-/m0/s1
InChIKeyAKXUUPPNNSIQKU-OTWHNJEPSA-N
MW428.76 g/mol
LogP6.44
Rot. Bonds8

About (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one

(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one (PubChem CID 11683373) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one
PubChem CID11683373
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Name(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one
SMILESC[C@@H](C[C@@H](C[C@H]1CC=CC(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-17(25-27(8,9)21(2,3)4)15-19(26-28(10,11)22(5,6)7)16-18-13-12-14-20(23)24-18/h12,14,17-19H,13,15-16H2,1-11H3/t17-,18+,19-/m0/s1
InChIKeyAKXUUPPNNSIQKU-OTWHNJEPSA-N
XLogP6.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
[(2R,4R)-4-acetyloxy-5-[(2R)-6-oxo-2,3-dihydropyran-2-yl]pentan-2-yl] acetate
CID 72189089
[(2R,4R,6S)-4,6-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] acetate
CID 162988652
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 10983057
Ethyl (E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)acetate
CID 11080703
(r)-6-[(2s,4s)-2,4-(Diacetyloxy)pentyl]-5,6-dihydro-2h-pyran-2-one
CID 10913046
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
CID 11619466
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-[(2S,3Z,5E,8R,9S,10R)-2-acetyloxy-8,9,10,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]undeca-3,5-dienyl]-6-(methoxymethyl)oxan-3-yl] acetate
CID 13830764
(2S,3S)-2-[(2S,5S,6R,7S,8Z,10Z,12E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-methyltetradeca-8,10,12-trien-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 15965829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one (CID 11683373) is (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one is C[C@@H](C[C@@H](C[C@H]1CC=CC(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one?
The InChIKey is AKXUUPPNNSIQKU-OTWHNJEPSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-17(25-27(8,9)21(2,3)4)15-19(26-28(10,11)22(5,6)7)16-18-13-12-14-20(23)24-18/h12,14,17-19H,13,15-16H2,1-11H3/t17-,18+,19-/m0/s1.
What are the key properties of (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one has a molecular weight of 428.76 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11683373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).