(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal

C18H36O2Si — CID 14409373

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
SMILESCCCCC/C=C\CC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-14-17(15-13-16-19)20-21(5,6)18(2,3)4/h11-12,16-17H,7-10,13-15H2,1-6H3/b12-11-
InChIKeyICUBFGCTIFUKGQ-QXMHVHEDSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds11

About (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal

(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal (PubChem CID 14409373) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
PubChem CID14409373
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal
SMILESCCCCC/C=C\CC(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-14-17(15-13-16-19)20-21(5,6)18(2,3)4/h11-12,16-17H,7-10,13-15H2,1-6H3/b12-11-
InChIKeyICUBFGCTIFUKGQ-QXMHVHEDSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal (CID 14409373) is (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal is CCCCC/C=C\CC(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal?
The InChIKey is ICUBFGCTIFUKGQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-8-9-10-11-12-14-17(15-13-16-19)20-21(5,6)18(2,3)4/h11-12,16-17H,7-10,13-15H2,1-6H3/b12-11-.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal?
(Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal has a molecular weight of 312.57 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxydodec-6-enal is sourced from PubChem (CID 14409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).