(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal

C19H32O3Si — CID 10871420

IUPAC(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C(C)C=O
InChIInChI=1S/C19H32O3Si/c1-5-23(6-2,7-3)22-19(17(4)15-20)13-14-21-16-18-11-9-8-10-12-18/h8-12,15,17,19H,5-7,13-14,16H2,1-4H3/t17?,19-/m0/s1
InChIKeyHFMSPZKVESWJNU-NNBQYGFHSA-N
MW336.55 g/mol
LogP4.82
Rot. Bonds12

About (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal

(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal (PubChem CID 10871420) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal
PubChem CID10871420
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C(C)C=O
InChIInChI=1S/C19H32O3Si/c1-5-23(6-2,7-3)22-19(17(4)15-20)13-14-21-16-18-11-9-8-10-12-18/h8-12,15,17,19H,5-7,13-14,16H2,1-4H3/t17?,19-/m0/s1
InChIKeyHFMSPZKVESWJNU-NNBQYGFHSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal?
The IUPAC name of (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal (CID 10871420) is (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal.
What is the SMILES notation for (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal?
The canonical SMILES for (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)C(C)C=O.
What is the InChIKey of (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal?
The InChIKey is HFMSPZKVESWJNU-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-5-23(6-2,7-3)22-19(17(4)15-20)13-14-21-16-18-11-9-8-10-12-18/h8-12,15,17,19H,5-7,13-14,16H2,1-4H3/t17?,19-/m0/s1.
What are the key properties of (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal?
(2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal has a molecular weight of 336.55 g/mol, XLogP of 4.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentanal is sourced from PubChem (CID 10871420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).