(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde

C22H44O3Si — CID 11581785

IUPAC(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C22H44O3Si/c1-7-8-9-10-11-12-13-14-15-21(20-17-16-19(18-23)24-20)25-26(5,6)22(2,3)4/h18-21H,7-17H2,1-6H3/t19-,20+,21+/m0/s1
InChIKeyWUAAFZPDGHKYJR-PWRODBHTSA-N
MW384.68 g/mol
LogP6.65
Rot. Bonds13

About (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde

(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde (PubChem CID 11581785) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde
PubChem CID11581785
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C22H44O3Si/c1-7-8-9-10-11-12-13-14-15-21(20-17-16-19(18-23)24-20)25-26(5,6)22(2,3)4/h18-21H,7-17H2,1-6H3/t19-,20+,21+/m0/s1
InChIKeyWUAAFZPDGHKYJR-PWRODBHTSA-N
XLogP6.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134854516
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
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039
(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
(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
CID 10661985
(2S,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxane-2-carbaldehyde
CID 10791427

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde?
The IUPAC name of (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde (CID 11581785) is (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde is CCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](C=O)O1.
What is the InChIKey of (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde?
The InChIKey is WUAAFZPDGHKYJR-PWRODBHTSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-7-8-9-10-11-12-13-14-15-21(20-17-16-19(18-23)24-20)25-26(5,6)22(2,3)4/h18-21H,7-17H2,1-6H3/t19-,20+,21+/m0/s1.
What are the key properties of (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde?
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde has a molecular weight of 384.68 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11581785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).