(2R,4R)-2-methyl-4-triethylsilyloxypentanal

C12H26O2Si — CID 11379230

IUPAC(2R,4R)-2-methyl-4-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@@H](C)C=O
InChIInChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-12(5)9-11(4)10-13/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyHCRKWVRCRJKHCA-VXGBXAGGSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds8

About (2R,4R)-2-methyl-4-triethylsilyloxypentanal

(2R,4R)-2-methyl-4-triethylsilyloxypentanal (PubChem CID 11379230) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-triethylsilyloxypentanal
PubChem CID11379230
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2R,4R)-2-methyl-4-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@@H](C)C=O
InChIInChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-12(5)9-11(4)10-13/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyHCRKWVRCRJKHCA-VXGBXAGGSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-triethylsilyloxypentanal?
The IUPAC name of (2R,4R)-2-methyl-4-triethylsilyloxypentanal (CID 11379230) is (2R,4R)-2-methyl-4-triethylsilyloxypentanal.
What is the SMILES notation for (2R,4R)-2-methyl-4-triethylsilyloxypentanal?
The canonical SMILES for (2R,4R)-2-methyl-4-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H](C)C[C@@H](C)C=O.
What is the InChIKey of (2R,4R)-2-methyl-4-triethylsilyloxypentanal?
The InChIKey is HCRKWVRCRJKHCA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-15(7-2,8-3)14-12(5)9-11(4)10-13/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-triethylsilyloxypentanal?
(2R,4R)-2-methyl-4-triethylsilyloxypentanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-triethylsilyloxypentanal is sourced from PubChem (CID 11379230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).