(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal

C20H42O3Si2 — CID 134887097

IUPAC(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C20H42O3Si2/c1-12-16(3)19(22-24(6,7)8)18(5)20(23-25(9,10)11)17(4)13-15(2)14-21/h13-14,16-20H,12H2,1-11H3/b15-13+/t16-,17+,18-,19+,20+/m0/s1
InChIKeyBLLVPXXCQDJIHY-VHDIGMOJSA-N
MW386.73 g/mol
LogP5.89
Rot. Bonds11

About (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal

(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal (PubChem CID 134887097) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal.

Molecular Properties

Compound Name(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal
PubChem CID134887097
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C20H42O3Si2/c1-12-16(3)19(22-24(6,7)8)18(5)20(23-25(9,10)11)17(4)13-15(2)14-21/h13-14,16-20H,12H2,1-11H3/b15-13+/t16-,17+,18-,19+,20+/m0/s1
InChIKeyBLLVPXXCQDJIHY-VHDIGMOJSA-N
XLogP5.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.89
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal
CID 11048633
(E,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhexadec-2-enal
CID 16062351
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
CID 24886641
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal
CID 134834031
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
CID 135015019
(2E,5R,6R,7S,8Z)-9-iodo-2,6-dimethyl-5,7-bis(triethylsilyloxy)nona-2,8-dienal
CID 164675283
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 11773982
(E,4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-enal
CID 57788234
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-2-enal
CID 58139575
(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal
CID 58762098
(4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-enal
CID 91496776
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 173509317

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal?
The IUPAC name of (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal (CID 134887097) is (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal.
What is the SMILES notation for (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal?
The canonical SMILES for (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal is CC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(\C)C=O.
What is the InChIKey of (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal?
The InChIKey is BLLVPXXCQDJIHY-VHDIGMOJSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-16(3)19(22-24(6,7)8)18(5)20(23-25(9,10)11)17(4)13-15(2)14-21/h13-14,16-20H,12H2,1-11H3/b15-13+/t16-,17+,18-,19+,20+/m0/s1.
What are the key properties of (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal?
(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal has a molecular weight of 386.73 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal is sourced from PubChem (CID 134887097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).