(E)-5,5-diethoxy-2,3-dimethylpent-2-enal

C11H20O3 — CID 10867344

IUPAC(E)-5,5-diethoxy-2,3-dimethylpent-2-enal
SMILESCCOC(C/C(C)=C(\C)C=O)OCC
InChIInChI=1S/C11H20O3/c1-5-13-11(14-6-2)7-9(3)10(4)8-12/h8,11H,5-7H2,1-4H3/b10-9+
InChIKeyILQZMVPKLWQRQI-MDZDMXLPSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds7

About (E)-5,5-diethoxy-2,3-dimethylpent-2-enal

(E)-5,5-diethoxy-2,3-dimethylpent-2-enal (PubChem CID 10867344) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-5,5-diethoxy-2,3-dimethylpent-2-enal.

Molecular Properties

Compound Name(E)-5,5-diethoxy-2,3-dimethylpent-2-enal
PubChem CID10867344
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E)-5,5-diethoxy-2,3-dimethylpent-2-enal
SMILESCCOC(C/C(C)=C(\C)C=O)OCC
InChIInChI=1S/C11H20O3/c1-5-13-11(14-6-2)7-9(3)10(4)8-12/h8,11H,5-7H2,1-4H3/b10-9+
InChIKeyILQZMVPKLWQRQI-MDZDMXLPSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5,5-diethoxy-3-methylpent-2-enal
CID 5324026
(E)-5,5-diethoxy-2-methylpent-2-enal
CID 15374332
(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
CID 10932159
(E)-2-methyl-5,5-di(propan-2-yloxy)pent-2-enal
CID 44521255
(Z)-5,5-diethoxy-3-methylpent-2-enal
CID 5324027
5,5-Diethoxy-3-methyl-2-pentenal
CID 53767196
(Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enal
CID 11820495
(E)-5,5-diethoxy-2,4-dimethylpent-2-enal
CID 12951378
(Z)-5,5-diethoxy-2,3-dimethylpent-2-enal
CID 23261204

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-diethoxy-2,3-dimethylpent-2-enal?
The IUPAC name of (E)-5,5-diethoxy-2,3-dimethylpent-2-enal (CID 10867344) is (E)-5,5-diethoxy-2,3-dimethylpent-2-enal.
What is the SMILES notation for (E)-5,5-diethoxy-2,3-dimethylpent-2-enal?
The canonical SMILES for (E)-5,5-diethoxy-2,3-dimethylpent-2-enal is CCOC(C/C(C)=C(\C)C=O)OCC.
What is the InChIKey of (E)-5,5-diethoxy-2,3-dimethylpent-2-enal?
The InChIKey is ILQZMVPKLWQRQI-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-13-11(14-6-2)7-9(3)10(4)8-12/h8,11H,5-7H2,1-4H3/b10-9+.
What are the key properties of (E)-5,5-diethoxy-2,3-dimethylpent-2-enal?
(E)-5,5-diethoxy-2,3-dimethylpent-2-enal has a molecular weight of 200.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-diethoxy-2,3-dimethylpent-2-enal is sourced from PubChem (CID 10867344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).