(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal

C11H20O2Si — CID 11148557

IUPAC(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)[C@H]1O[C@@H]1/C=C/C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10-9(13-10)7-6-8-12/h6-10H,1-5H3/b7-6+/t9-,10-/m1/s1
InChIKeyHCGVHVGWHVZCEF-UHHSMLKOSA-N
MW212.36 g/mol
LogP2.56
Rot. Bonds3

About (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal

(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal (PubChem CID 11148557) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal
PubChem CID11148557
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)[C@H]1O[C@@H]1/C=C/C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10-9(13-10)7-6-8-12/h6-10H,1-5H3/b7-6+/t9-,10-/m1/s1
InChIKeyHCGVHVGWHVZCEF-UHHSMLKOSA-N
XLogP2.56
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.56
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(E)-1-[tert-butyl(dimethyl)silyl]-3-[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-en-1-one
CID 101347822
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 21578834
4-[Tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 73803771
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 87732856
(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal
CID 11304414
methyl (Z)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
CID 11333983
ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
CID 11623018
methyl (E)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
CID 15807823
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal
CID 57409536
(4R)-4-{[tert-Butyl(dimethyl)silyl]oxy}pent-2-enal
CID 71414538
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
CID 101267811

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal?
The IUPAC name of (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal (CID 11148557) is (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal is CC(C)(C)[Si](C)(C)[C@H]1O[C@@H]1/C=C/C=O.
What is the InChIKey of (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal?
The InChIKey is HCGVHVGWHVZCEF-UHHSMLKOSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10-9(13-10)7-6-8-12/h6-10H,1-5H3/b7-6+/t9-,10-/m1/s1.
What are the key properties of (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal?
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal has a molecular weight of 212.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal is sourced from PubChem (CID 11148557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).