(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal

C19H38O3Si — CID 10882441

IUPAC(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-12-15(2)18(21-7)16(3)17(13-14-20)22-23(8,9)19(4,5)6/h10-11,14-18H,12-13H2,1-9H3/b11-10+/t15-,16-,17+,18+/m0/s1
InChIKeyDRSZUZONBOCVNM-MAGQXPIFSA-N
MW342.60 g/mol
LogP5.22
Rot. Bonds10

About (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal

(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal (PubChem CID 10882441) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal.

Molecular Properties

Compound Name(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
PubChem CID10882441
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-12-15(2)18(21-7)16(3)17(13-14-20)22-23(8,9)19(4,5)6/h10-11,14-18H,12-13H2,1-9H3/b11-10+/t15-,16-,17+,18+/m0/s1
InChIKeyDRSZUZONBOCVNM-MAGQXPIFSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
CID 16742608
(E,2S,3R,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
CID 25108384
(E,2S,3R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-3-triethylsilyloxydec-8-enal
CID 72164491
(E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
CID 102413098
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(E,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 44475811
(E,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 59869547
(11Z,14Z)-3-((tert-butyldimethylsilyl)oxy)icosa-11,14-dienal
CID 86678085
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxonon-7-enal
CID 91089026
3-[Tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienal
CID 123840886
(2R,3R,4S,6S,9R,10S,11R,12S,13Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6,9,10,12-hexamethyl-11-trimethylsilyloxyhexadeca-13,15-dienal
CID 161304775

Frequently Asked Questions

What is the IUPAC name of (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal?
The IUPAC name of (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal (CID 10882441) is (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal.
What is the SMILES notation for (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal?
The canonical SMILES for (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal?
The InChIKey is DRSZUZONBOCVNM-MAGQXPIFSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-12-15(2)18(21-7)16(3)17(13-14-20)22-23(8,9)19(4,5)6/h10-11,14-18H,12-13H2,1-9H3/b11-10+/t15-,16-,17+,18+/m0/s1.
What are the key properties of (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal?
(E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal has a molecular weight of 342.60 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4,6-dimethyldec-8-enal is sourced from PubChem (CID 10882441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).