(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal

C11H22O2Si — CID 87732856

IUPAC(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h7-10H,1-6H3/b8-7+/t10-/m1/s1
InChIKeyMFEMTJAKNSWHBJ-QROSGCPLSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

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

(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal (PubChem CID 87732856) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal.

Molecular Properties

Compound Name(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
PubChem CID87732856
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESC[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h7-10H,1-6H3/b8-7+/t10-/m1/s1
InChIKeyMFEMTJAKNSWHBJ-QROSGCPLSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
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 (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The IUPAC name of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal (CID 87732856) is (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal.
What is the SMILES notation for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The canonical SMILES for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal is C[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The InChIKey is MFEMTJAKNSWHBJ-QROSGCPLSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h7-10H,1-6H3/b8-7+/t10-/m1/s1.
What are the key properties of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal is sourced from PubChem (CID 87732856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).