(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal

C17H36O3Si — CID 101347212

IUPAC(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C)COC(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C17H36O3Si/c1-9-21(10-2,11-3)20-16(14(4)12-18)15(5)13-19-17(6,7)8/h12,14-16H,9-11,13H2,1-8H3/t14-,15+,16-/m0/s1
InChIKeyKIFCHPNMBMOSFY-XHSDSOJGSA-N
MW316.56 g/mol
LogP4.66
Rot. Bonds10

About (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal

(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal (PubChem CID 101347212) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal
PubChem CID101347212
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H]([C@H](C)COC(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C17H36O3Si/c1-9-21(10-2,11-3)20-16(14(4)12-18)15(5)13-19-17(6,7)8/h12,14-16H,9-11,13H2,1-8H3/t14-,15+,16-/m0/s1
InChIKeyKIFCHPNMBMOSFY-XHSDSOJGSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal?
The IUPAC name of (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal (CID 101347212) is (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal.
What is the SMILES notation for (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal?
The canonical SMILES for (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H]([C@H](C)COC(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal?
The InChIKey is KIFCHPNMBMOSFY-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-9-21(10-2,11-3)20-16(14(4)12-18)15(5)13-19-17(6,7)8/h12,14-16H,9-11,13H2,1-8H3/t14-,15+,16-/m0/s1.
What are the key properties of (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal?
(2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal has a molecular weight of 316.56 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]-3-triethylsilyloxypentanal is sourced from PubChem (CID 101347212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).