(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one

C23H44O3Si — CID 11486299

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one
SMILESCCCCCCCCCCC[C@]1(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-18-23(19-16-17-21(24)26-23)20-25-27(5,6)22(2,3)4/h16-17H,7-15,18-20H2,1-6H3/t23-/m1/s1
InChIKeyWSXXCGIEGAOZNV-HSZRJFAPSA-N
MW396.69 g/mol
LogP7.17
Rot. Bonds13

About (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one (PubChem CID 11486299) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one
PubChem CID11486299
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one
SMILESCCCCCCCCCCC[C@]1(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-18-23(19-16-17-21(24)26-23)20-25-27(5,6)22(2,3)4/h16-17H,7-15,18-20H2,1-6H3/t23-/m1/s1
InChIKeyWSXXCGIEGAOZNV-HSZRJFAPSA-N
XLogP7.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.17
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

tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
CID 50915521
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
4-hydroxy-2,2-dipentyl-3H-pyran-6-one
CID 54713071
(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde
CID 162101193
(6S)-3-methyl-6-nonyl-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
CID 11258868
tert-butyl-[(2-ethyl-3,4-dihydropyran-2-yl)methoxy]-dimethylsilane
CID 58063687
(2R)-2-[(1S,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyheptyl]-2,3-dihydropyran-6-one
CID 11152561
(1R,2S,8aS)-8a-butyl-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,8-tetrahydroindolizin-3-one
CID 11293962
N-[(2S)-1-[[(2S)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
CID 24752894
ethyl (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 57326931
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one (CID 11486299) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one is CCCCCCCCCCC[C@]1(CO[Si](C)(C)C(C)(C)C)CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one?
The InChIKey is WSXXCGIEGAOZNV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-7-8-9-10-11-12-13-14-15-18-23(19-16-17-21(24)26-23)20-25-27(5,6)22(2,3)4/h16-17H,7-15,18-20H2,1-6H3/t23-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one has a molecular weight of 396.69 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyl-3H-pyran-6-one is sourced from PubChem (CID 11486299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).