(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal

C26H52O4Si2 — CID 71530896

IUPAC(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal
SMILESC[C@@H](CC=O)CC(=O)/C(=C/CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-22(17-18-27)21-24(28)23(16-14-20-30-32(10,11)26(5,6)7)15-12-13-19-29-31(8,9)25(2,3)4/h15,18,22H,12-14,16-17,19-21H2,1-11H3/b23-15+/t22-/m0/s1
InChIKeyBMRWEDFCSBYYLZ-GQBVICOWSA-N
MW484.87 g/mol
LogP7.70
Rot. Bonds15

About (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal

(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal (PubChem CID 71530896) has the molecular formula C26H52O4Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal.

Molecular Properties

Compound Name(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal
PubChem CID71530896
Molecular FormulaC26H52O4Si2
Molecular Weight484.87 g/mol
Exact Mass484.34
IUPAC Name(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal
SMILESC[C@@H](CC=O)CC(=O)/C(=C/CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-22(17-18-27)21-24(28)23(16-14-20-30-32(10,11)26(5,6)7)15-12-13-19-29-31(8,9)25(2,3)4/h15,18,22H,12-14,16-17,19-21H2,1-11H3/b23-15+/t22-/m0/s1
InChIKeyBMRWEDFCSBYYLZ-GQBVICOWSA-N
XLogP7.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
CID 139690358
(E,7S,8S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,7-trimethyltetradec-4-en-6-one
CID 11113969
(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-hydroxy-3-methyldec-6-en-5-one
CID 71530895

Frequently Asked Questions

What is the IUPAC name of (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal?
The IUPAC name of (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal (CID 71530896) is (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal.
What is the SMILES notation for (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal?
The canonical SMILES for (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal is C[C@@H](CC=O)CC(=O)/C(=C/CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal?
The InChIKey is BMRWEDFCSBYYLZ-GQBVICOWSA-N. The full InChI is InChI=1S/C26H52O4Si2/c1-22(17-18-27)21-24(28)23(16-14-20-30-32(10,11)26(5,6)7)15-12-13-19-29-31(8,9)25(2,3)4/h15,18,22H,12-14,16-17,19-21H2,1-11H3/b23-15+/t22-/m0/s1.
What are the key properties of (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal?
(E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal has a molecular weight of 484.87 g/mol, XLogP of 7.70, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-10-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-5-oxodec-6-enal is sourced from PubChem (CID 71530896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).