(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde

C28H54O4Si — CID 11496721

IUPAC(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H](C=O)O2)O1
InChIInChI=1S/C28H54O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h22-27H,7-21H2,1-6H3/t23-,24-,25-,26-,27-/m1/s1
InChIKeyXQYAGZBPCVKCDK-RFNQJFSXSA-N
MW482.82 g/mol
LogP7.98
Rot. Bonds16

About (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde

(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde (PubChem CID 11496721) has the molecular formula C28H54O4Si and a molecular weight of 482.82 g/mol. Its IUPAC name is (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
PubChem CID11496721
Molecular FormulaC28H54O4Si
Molecular Weight482.82 g/mol
Exact Mass482.38
IUPAC Name(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H](C=O)O2)O1
InChIInChI=1S/C28H54O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h22-27H,7-21H2,1-6H3/t23-,24-,25-,26-,27-/m1/s1
InChIKeyXQYAGZBPCVKCDK-RFNQJFSXSA-N
XLogP7.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.82
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
CID 162419872
(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10087930
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10359177
(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde
CID 10404263
(5R)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one
CID 10575131
(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
CID 10661985
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one
CID 10694417
(2S,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxane-2-carbaldehyde
CID 10791427
9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]nonan-1-one
CID 10963339

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde (CID 11496721) is (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H](C=O)O2)O1.
What is the InChIKey of (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The InChIKey is XQYAGZBPCVKCDK-RFNQJFSXSA-N. The full InChI is InChI=1S/C28H54O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h22-27H,7-21H2,1-6H3/t23-,24-,25-,26-,27-/m1/s1.
What are the key properties of (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde?
(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde has a molecular weight of 482.82 g/mol, XLogP of 7.98, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11496721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).