[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate

C14H26O3Si — CID 11832485

IUPAC[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESC[C@@H]1CC=C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-11-8-7-9-12(16-11)10-13(15)17-18(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyPMEYHHBHEKUHFJ-VXGBXAGGSA-N
MW270.44 g/mol
LogP3.66
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate

[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 11832485) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID11832485
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESC[C@@H]1CC=C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-11-8-7-9-12(16-11)10-13(15)17-18(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1
InChIKeyPMEYHHBHEKUHFJ-VXGBXAGGSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(Trimethylsilyloxy)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
CID 12405273
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882732
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882842
[tert-butyl(dimethyl)silyl] 2-[(3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882930
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882974
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
CID 139250253
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-2-enoate
CID 11448683
dimethyl (3R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexa-1,4-diene-1,2-dicarboxylate
CID 21668237
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate (CID 11832485) is [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate is C[C@@H]1CC=C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is PMEYHHBHEKUHFJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11-8-7-9-12(16-11)10-13(15)17-18(5,6)14(2,3)4/h7,9,11-12H,8,10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate?
[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 270.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 11832485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).