(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal

C23H48O3Si2 — CID 11069989

IUPAC(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-22(2,3)27(7,8)25-20-15-13-11-12-14-17-21(18-16-19-24)26-28(9,10)23(4,5)6/h16,18-19,21H,11-15,17,20H2,1-10H3/b18-16+/t21-/m1/s1
InChIKeyMDULEMTYKGYSKN-XXJLXKPQSA-N
MW428.81 g/mol
LogP7.49
Rot. Bonds13

About (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal

(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal (PubChem CID 11069989) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal.

Molecular Properties

Compound Name(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal
PubChem CID11069989
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-22(2,3)27(7,8)25-20-15-13-11-12-14-17-21(18-16-19-24)26-28(9,10)23(4,5)6/h16,18-19,21H,11-15,17,20H2,1-10H3/b18-16+/t21-/m1/s1
InChIKeyMDULEMTYKGYSKN-XXJLXKPQSA-N
XLogP7.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal?
The IUPAC name of (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal (CID 11069989) is (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal.
What is the SMILES notation for (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal?
The canonical SMILES for (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal is CC(C)(C)[Si](C)(C)OCCCCCCC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal?
The InChIKey is MDULEMTYKGYSKN-XXJLXKPQSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-22(2,3)27(7,8)25-20-15-13-11-12-14-17-21(18-16-19-24)26-28(9,10)23(4,5)6/h16,18-19,21H,11-15,17,20H2,1-10H3/b18-16+/t21-/m1/s1.
What are the key properties of (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal?
(E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal has a molecular weight of 428.81 g/mol, XLogP of 7.49, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]undec-2-enal is sourced from PubChem (CID 11069989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).