(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one

C19H38O3Si — CID 101354245

IUPAC(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one
SMILESCCCCCC[C@H]1CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O3Si/c1-7-8-9-10-11-17-14-16(20)15-18(22-17)12-13-21-23(5,6)19(2,3)4/h17-18H,7-15H2,1-6H3/t17-,18+/m0/s1
InChIKeyRJTCJFIIYIUQTC-ZWKOTPCHSA-N
MW342.60 g/mol
LogP5.49
Rot. Bonds9

About (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one

(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one (PubChem CID 101354245) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one.

Molecular Properties

Compound Name(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one
PubChem CID101354245
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one
SMILESCCCCCC[C@H]1CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O3Si/c1-7-8-9-10-11-17-14-16(20)15-18(22-17)12-13-21-23(5,6)19(2,3)4/h17-18H,7-15H2,1-6H3/t17-,18+/m0/s1
InChIKeyRJTCJFIIYIUQTC-ZWKOTPCHSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.49
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

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 135013074
Octadecanoic acid, 3-hydroxy, DTBS
CID 523759
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhexadecanoate
CID 526790
3-Hydroxy-heptadecanoic acid, methyl ester, 3-tBDMS ether
CID 526792
3-Hydroxy-stearic acid, methyl ester, 3-tBDMS ether
CID 526798
3-Hydroxy-nonadecanoic, methyl ester, 3-tBDMS ether
CID 526800
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one?
The IUPAC name of (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one (CID 101354245) is (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one.
What is the SMILES notation for (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one?
The canonical SMILES for (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one is CCCCCC[C@H]1CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one?
The InChIKey is RJTCJFIIYIUQTC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-7-8-9-10-11-17-14-16(20)15-18(22-17)12-13-21-23(5,6)19(2,3)4/h17-18H,7-15H2,1-6H3/t17-,18+/m0/s1.
What are the key properties of (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one?
(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one has a molecular weight of 342.60 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one is sourced from PubChem (CID 101354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).