(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal

C17H38O4Si2 — CID 25105485

IUPAC(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-15(21-23(8,9)17(2,3)4)16(10-11-18)20-14-19-12-13-22(5,6)7/h11,15-16H,10,12-14H2,1-9H3/t15-,16-/m1/s1
InChIKeyPSPWVJHMBHKILD-HZPDHXFCSA-N
MW362.66 g/mol
LogP4.68
Rot. Bonds11

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal (PubChem CID 25105485) has the molecular formula C17H38O4Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
PubChem CID25105485
Molecular FormulaC17H38O4Si2
Molecular Weight362.66 g/mol
Exact Mass362.23
IUPAC Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H38O4Si2/c1-15(21-23(8,9)17(2,3)4)16(10-11-18)20-14-19-12-13-22(5,6)7/h11,15-16H,10,12-14H2,1-9H3/t15-,16-/m1/s1
InChIKeyPSPWVJHMBHKILD-HZPDHXFCSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.68
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal?
The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal (CID 25105485) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal?
The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal?
The InChIKey is PSPWVJHMBHKILD-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H38O4Si2/c1-15(21-23(8,9)17(2,3)4)16(10-11-18)20-14-19-12-13-22(5,6)7/h11,15-16H,10,12-14H2,1-9H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal?
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal has a molecular weight of 362.66 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal is sourced from PubChem (CID 25105485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).