(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal

C12H24O2Si — CID 134967854

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
SMILESC=CCC[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m1/s1
InChIKeyIHGGGCPWOURXCO-LLVKDONJSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal

(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal (PubChem CID 134967854) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
PubChem CID134967854
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
SMILESC=CCC[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m1/s1
InChIKeyIHGGGCPWOURXCO-LLVKDONJSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 121013455
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
CID 10977251
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 101799051
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enal
CID 134931030
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 134992612
5-[Tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 135010198
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-2-one
CID 10561359
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 11831613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal (CID 134967854) is (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal is C=CCC[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
The InChIKey is IHGGGCPWOURXCO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t11-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal?
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal is sourced from PubChem (CID 134967854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).