(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal

C12H26O3Si — CID 10890218

IUPAC(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
SMILESCO[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeyMTMCLITXSARIQN-NSHDSACASA-N
MW246.42 g/mol
LogP3.00
Rot. Bonds7

About (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal

(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal (PubChem CID 10890218) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal.

Molecular Properties

Compound Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
PubChem CID10890218
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
SMILESCO[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeyMTMCLITXSARIQN-NSHDSACASA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.00
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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Related Compounds

5-((tert-Butyldimethylsilyl)oxy)pentanal
CID 10987703
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
2-{4-[(Tert-butyldimethylsilyl)oxy]oxan-4-yl}acetaldehyde
CID 125511585
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11379231
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]pentanedial
CID 11470268
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal?
The IUPAC name of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal (CID 10890218) is (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal.
What is the SMILES notation for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal?
The canonical SMILES for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal is CO[C@@H](CC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal?
The InChIKey is MTMCLITXSARIQN-NSHDSACASA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1.
What are the key properties of (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal?
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal has a molecular weight of 246.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal is sourced from PubChem (CID 10890218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).