(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal

C16H32O3Si — CID 125450505

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal
SMILESCC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C16H32O3Si/c1-7-16(10-11-17,14-8-12-18-13-9-14)19-20(5,6)15(2,3)4/h11,14H,7-10,12-13H2,1-6H3/t16-/m0/s1
InChIKeyYXYTYFRRTIFQLV-INIZCTEOSA-N
MW300.51 g/mol
LogP4.17
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal (PubChem CID 125450505) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal
PubChem CID125450505
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal
SMILESCC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C16H32O3Si/c1-7-16(10-11-17,14-8-12-18-13-9-14)19-20(5,6)15(2,3)4/h11,14H,7-10,12-13H2,1-6H3/t16-/m0/s1
InChIKeyYXYTYFRRTIFQLV-INIZCTEOSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.17
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)propanal
CID 141638088
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-oxolan-3-yl]butanal
CID 125449658
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-oxolan-3-yl]butanal
CID 125449660
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-oxolan-3-yl]butanal
CID 125449661
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-oxolan-3-yl]butanal
CID 125449662
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal
CID 125450421
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal
CID 125450427
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal
CID 125450508
3-[(tert-Butyldimethylsilyl)oxy]-3-(oxolan-3-yl)butanal
CID 137702277
3-[(tert-Butyldimethylsilyl)oxy]-3-(oxan-4-yl)butanal
CID 137702278
3-[(tert-Butyldimethylsilyl)oxy]-3-(oxan-4-yl)pentanal
CID 137702279

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal (CID 125450505) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal is CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1CCOCC1.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal?
The InChIKey is YXYTYFRRTIFQLV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-16(10-11-17,14-8-12-18-13-9-14)19-20(5,6)15(2,3)4/h11,14H,7-10,12-13H2,1-6H3/t16-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal has a molecular weight of 300.51 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)pentanal is sourced from PubChem (CID 125450505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).