(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal

C16H30O3Si — CID 102100733

IUPAC(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C=O
InChIInChI=1S/C16H30O3Si/c1-7-8-9-12-15(14(18)11-10-13-17)19-20(5,6)16(2,3)4/h10-11,13,15H,7-9,12H2,1-6H3/b11-10+/t15-/m1/s1
InChIKeyMRKBSVQBCYNKFN-AUECHBEKSA-N
MW298.50 g/mol
LogP4.28
Rot. Bonds9

About (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal (PubChem CID 102100733) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal.

Molecular Properties

Compound Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
PubChem CID102100733
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C=O
InChIInChI=1S/C16H30O3Si/c1-7-8-9-12-15(14(18)11-10-13-17)19-20(5,6)16(2,3)4/h10-11,13,15H,7-9,12H2,1-6H3/b11-10+/t15-/m1/s1
InChIKeyMRKBSVQBCYNKFN-AUECHBEKSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.28
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'}

Analyze (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(E,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
CID 71514606
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811
4-[Tert-butyl(dimethyl)silyl]oxynon-1-en-3-one
CID 135079241
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxohexadec-2-enal
CID 138979140
(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
CID 138979141
2-(7-Oxo-8-trimethylsilyloxyoctyl)cyclopent-2-en-1-one
CID 20390498
7-Tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 139985494
7-Triethylsilyloxycyclohept-2-en-1-one
CID 139985497
2-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dienal
CID 140499522

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal?
The IUPAC name of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal (CID 102100733) is (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal.
What is the SMILES notation for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal?
The canonical SMILES for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C/C=O.
What is the InChIKey of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal?
The InChIKey is MRKBSVQBCYNKFN-AUECHBEKSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-8-9-12-15(14(18)11-10-13-17)19-20(5,6)16(2,3)4/h10-11,13,15H,7-9,12H2,1-6H3/b11-10+/t15-/m1/s1.
What are the key properties of (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal?
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal has a molecular weight of 298.50 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal is sourced from PubChem (CID 102100733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).