(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal

C14H28O2Si — CID 11010598

IUPAC(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C14H28O2Si/c1-6-10-11-14(13(5)12-15)16-17(7-2,8-3)9-4/h6,12-14H,1,7-11H2,2-5H3/t13-,14-/m1/s1
InChIKeyRGDXQIOKAIPTPK-ZIAGYGMSSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds10

About (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal

(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal (PubChem CID 11010598) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal
PubChem CID11010598
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C14H28O2Si/c1-6-10-11-14(13(5)12-15)16-17(7-2,8-3)9-4/h6,12-14H,1,7-11H2,2-5H3/t13-,14-/m1/s1
InChIKeyRGDXQIOKAIPTPK-ZIAGYGMSSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal?
The IUPAC name of (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal (CID 11010598) is (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal.
What is the SMILES notation for (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal?
The canonical SMILES for (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal is C=CCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O.
What is the InChIKey of (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal?
The InChIKey is RGDXQIOKAIPTPK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-10-11-14(13(5)12-15)16-17(7-2,8-3)9-4/h6,12-14H,1,7-11H2,2-5H3/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal?
(2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-triethylsilyloxyhept-6-enal is sourced from PubChem (CID 11010598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).