(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde

C15H30O3Si — CID 54752912

IUPAC(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
SMILESCCCCC[C@@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1C=O
InChIInChI=1S/C15H30O3Si/c1-5-9-10-11-13(15-14(12-16)17-15)18-19(6-2,7-3)8-4/h12-15H,5-11H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyZTHSRZQEAVMOFW-RBSFLKMASA-N
MW286.49 g/mol
LogP3.92
Rot. Bonds11

About (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde

(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde (PubChem CID 54752912) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
PubChem CID54752912
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
SMILESCCCCC[C@@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1C=O
InChIInChI=1S/C15H30O3Si/c1-5-9-10-11-13(15-14(12-16)17-15)18-19(6-2,7-3)8-4/h12-15H,5-11H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyZTHSRZQEAVMOFW-RBSFLKMASA-N
XLogP3.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.92
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-pentyl-2-trimethylsilyloxirane-2-carbaldehyde
CID 13694677
(2R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 175955552
2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde
CID 177269497
(2R,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 177269506
3-[1-Tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 177269512
(2S,3S)-3-[(1S)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
CID 54752756
(2R,3R)-3-[(1S)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
CID 54752757
(2R,3R)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde
CID 54752911

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde?
The IUPAC name of (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde (CID 54752912) is (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde is CCCCC[C@@H](O[Si](CC)(CC)CC)[C@H]1O[C@@H]1C=O.
What is the InChIKey of (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde?
The InChIKey is ZTHSRZQEAVMOFW-RBSFLKMASA-N. The full InChI is InChI=1S/C15H30O3Si/c1-5-9-10-11-13(15-14(12-16)17-15)18-19(6-2,7-3)8-4/h12-15H,5-11H2,1-4H3/t13-,14-,15-/m1/s1.
What are the key properties of (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde?
(2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde has a molecular weight of 286.49 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(1R)-1-triethylsilyloxyhexyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 54752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).