(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal

C16H32O2Si — CID 134895328

IUPAC(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
SMILESCCCCC/C=C\CC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-
InChIKeyVABPBQIUDPQHKT-QXMHVHEDSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds9

About (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal

(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal (PubChem CID 134895328) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal.

Molecular Properties

Compound Name(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
PubChem CID134895328
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal
SMILESCCCCC/C=C\CC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-
InChIKeyVABPBQIUDPQHKT-QXMHVHEDSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
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)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal (CID 134895328) is (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal.
What is the SMILES notation for (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The canonical SMILES for (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal is CCCCC/C=C\CC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
The InChIKey is VABPBQIUDPQHKT-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,14-15H,7-10,13H2,1-6H3/b12-11-.
What are the key properties of (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal?
(Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal has a molecular weight of 284.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[tert-butyl(dimethyl)silyl]oxydec-4-enal is sourced from PubChem (CID 134895328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).