(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal

C19H38O4Si — CID 10970398

IUPAC(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC1CCCCO1)C(C)C=O
InChIInChI=1S/C19H38O4Si/c1-5-24(6-2,7-3)23-18(17(4)16-20)12-8-10-14-21-19-13-9-11-15-22-19/h16-19H,5-15H2,1-4H3/t17?,18-,19?/m1/s1
InChIKeyYYILVTRWWSCCLP-JLAWEPINSA-N
MW358.60 g/mol
LogP4.93
Rot. Bonds13

About (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal

(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal (PubChem CID 10970398) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal.

Molecular Properties

Compound Name(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal
PubChem CID10970398
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC1CCCCO1)C(C)C=O
InChIInChI=1S/C19H38O4Si/c1-5-24(6-2,7-3)23-18(17(4)16-20)12-8-10-14-21-19-13-9-11-15-22-19/h16-19H,5-15H2,1-4H3/t17?,18-,19?/m1/s1
InChIKeyYYILVTRWWSCCLP-JLAWEPINSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal?
The IUPAC name of (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal (CID 10970398) is (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal.
What is the SMILES notation for (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal?
The canonical SMILES for (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal is CC[Si](CC)(CC)O[C@H](CCCCOC1CCCCO1)C(C)C=O.
What is the InChIKey of (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal?
The InChIKey is YYILVTRWWSCCLP-JLAWEPINSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-5-24(6-2,7-3)23-18(17(4)16-20)12-8-10-14-21-19-13-9-11-15-22-19/h16-19H,5-15H2,1-4H3/t17?,18-,19?/m1/s1.
What are the key properties of (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal?
(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal has a molecular weight of 358.60 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal is sourced from PubChem (CID 10970398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).