(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal

C25H52O4Si2 — CID 10766847

IUPAC(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
SMILESCO[C@@H](C[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si2/c1-20(19-26)14-15-22(29-31(12,13)25(6,7)8)18-23(27-9)21(2)16-17-28-30(10,11)24(3,4)5/h16,19-20,22-23H,14-15,17-18H2,1-13H3/b21-16+/t20-,22+,23+/m1/s1
InChIKeyZZOIFLPJKQIZLS-QCOYMAOOSA-N
MW472.86 g/mol
LogP7.37
Rot. Bonds13

About (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal

(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal (PubChem CID 10766847) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal.

Molecular Properties

Compound Name(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
PubChem CID10766847
Molecular FormulaC25H52O4Si2
Molecular Weight472.86 g/mol
Exact Mass472.34
IUPAC Name(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
SMILESCO[C@@H](C[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si2/c1-20(19-26)14-15-22(29-31(12,13)25(6,7)8)18-23(27-9)21(2)16-17-28-30(10,11)24(3,4)5/h16,19-20,22-23H,14-15,17-18H2,1-13H3/b21-16+/t20-,22+,23+/m1/s1
InChIKeyZZOIFLPJKQIZLS-QCOYMAOOSA-N
XLogP7.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2R,4S,5R,6S,7Z,9S,11S,12R,13E)-5,9,11,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,12-tetramethylpentadeca-7,13-dienal
CID 134939545
2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-3-hydroxy-2-methylprop-1-enyl]-5-methyloxan-2-yl]acetaldehyde
CID 162397870
(2S,4S,5R,6S,7E,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
CID 15678266
(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid
CID 10791186
(2R,5S,7S,8E,10E,12E,14S,16R)-5-[tert-butyl(dimethyl)silyl]oxy-7,18-dimethoxy-2,8,14,16-tetramethyl-17-oxooctadeca-8,10,12-trienal
CID 10864294
(2R,4S,5E,7E,9E,11S,13S,16R)-13-[tert-butyl(dimethyl)silyl]oxy-11-methoxy-2,4,10,16-tetramethyl-17-triethylsilyloxyheptadeca-5,7,9-trienal
CID 10864902
(3R,6S)-6-[(2S,3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylhepta-3,5-dienyl]-3-methyloxan-2-one
CID 10883474
(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal
CID 11045267
(E,3S,5R)-8-[(4S,5R,6S)-2,2-ditert-butyl-5-methyl-6-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,2-dioxasilinan-4-yl]-5-methoxy-3-methyloct-6-enal
CID 11082631

Frequently Asked Questions

What is the IUPAC name of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal?
The IUPAC name of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal (CID 10766847) is (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal.
What is the SMILES notation for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal?
The canonical SMILES for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal is CO[C@@H](C[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal?
The InChIKey is ZZOIFLPJKQIZLS-QCOYMAOOSA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-20(19-26)14-15-22(29-31(12,13)25(6,7)8)18-23(27-9)21(2)16-17-28-30(10,11)24(3,4)5/h16,19-20,22-23H,14-15,17-18H2,1-13H3/b21-16+/t20-,22+,23+/m1/s1.
What are the key properties of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal?
(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal has a molecular weight of 472.86 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal is sourced from PubChem (CID 10766847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).