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

C12H24O2Si — CID 11206942

IUPAC(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESC[C@H](C/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m1/s1
InChIKeyHCRBMTNGFLAYNY-SKVAFPRGSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds5

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

(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (PubChem CID 11206942) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal.

Molecular Properties

Compound Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
PubChem CID11206942
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
SMILESC[C@H](C/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m1/s1
InChIKeyHCRBMTNGFLAYNY-SKVAFPRGSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal (CID 11206942) is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal.
What is the SMILES notation for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The canonical SMILES for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal is C[C@H](C/C=C\C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
The InChIKey is HCRBMTNGFLAYNY-SKVAFPRGSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7-/t11-/m1/s1.
What are the key properties of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal?
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal is sourced from PubChem (CID 11206942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).