(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal

C23H48O3Si2 — CID 10895253

IUPAC(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C23H48O3Si2/c1-14-18(3)21(26-28(12,13)23(6,7)8)20(5)22(25-27(9,10)11)19(4)15-17(2)16-24/h15-16,18-22H,14H2,1-13H3/b17-15+/t18-,19+,20-,21+,22+/m0/s1
InChIKeyKJLWYGGTCNFCNQ-IVIKYUTMSA-N
MW428.81 g/mol
LogP7.06
Rot. Bonds11

About (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal

(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal (PubChem CID 10895253) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal.

Molecular Properties

Compound Name(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal
PubChem CID10895253
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C23H48O3Si2/c1-14-18(3)21(26-28(12,13)23(6,7)8)20(5)22(25-27(9,10)11)19(4)15-17(2)16-24/h15-16,18-22H,14H2,1-13H3/b17-15+/t18-,19+,20-,21+,22+/m0/s1
InChIKeyKJLWYGGTCNFCNQ-IVIKYUTMSA-N
XLogP7.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 57.06
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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Launch Full Analysis

Related Compounds

(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(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
(E,4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-enal
CID 16732549
(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
(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal
CID 134887097
(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-14,16-dimethyl-17-triethylsilyloxyoctadeca-2,4,6,8,10,12-hexaenal
CID 134970409
(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)-3-[trans-(4-tert-Butyldimethylsilyloxycyclohexyl)]-2-methylprop-2-en-1-al
CID 19694133

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal?
The IUPAC name of (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal (CID 10895253) is (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal.
What is the SMILES notation for (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal?
The canonical SMILES for (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal is CC[C@H](C)[C@@H](O[Si](C)(C)C(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)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal?
The InChIKey is KJLWYGGTCNFCNQ-IVIKYUTMSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-14-18(3)21(26-28(12,13)23(6,7)8)20(5)22(25-27(9,10)11)19(4)15-17(2)16-24/h15-16,18-22H,14H2,1-13H3/b17-15+/t18-,19+,20-,21+,22+/m0/s1.
What are the key properties of (E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal?
(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal has a molecular weight of 428.81 g/mol, XLogP of 7.06, 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)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal is sourced from PubChem (CID 10895253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).