(E)-5-(1-ethoxyethoxy)hex-2-enal

C10H18O3 — CID 5366371

IUPAC(E)-5-(1-ethoxyethoxy)hex-2-enal
SMILESCCOC(C)OC(C)C/C=C/C=O
InChIInChI=1S/C10H18O3/c1-4-12-10(3)13-9(2)7-5-6-8-11/h5-6,8-10H,4,7H2,1-3H3/b6-5+
InChIKeyLWYXPMAYJCGFFE-AATRIKPKSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds7

About (E)-5-(1-ethoxyethoxy)hex-2-enal

(E)-5-(1-ethoxyethoxy)hex-2-enal (PubChem CID 5366371) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-5-(1-ethoxyethoxy)hex-2-enal.

Molecular Properties

Compound Name(E)-5-(1-ethoxyethoxy)hex-2-enal
PubChem CID5366371
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-5-(1-ethoxyethoxy)hex-2-enal
SMILESCCOC(C)OC(C)C/C=C/C=O
InChIInChI=1S/C10H18O3/c1-4-12-10(3)13-9(2)7-5-6-8-11/h5-6,8-10H,4,7H2,1-3H3/b6-5+
InChIKeyLWYXPMAYJCGFFE-AATRIKPKSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
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-(methoxymethoxy)pent-2-enal
CID 5386711
(E)-5,5-dimethoxypent-2-enal
CID 10931555
(E)-6,6-dimethoxyhex-2-enal
CID 15635086
(2E)-5,5-diethoxy-2-pentenal
CID 10511392
(E)-6,6-diethoxyhex-3-en-2-one
CID 21604553
(E)-5,5-diethoxy-2-methylpent-2-enal
CID 15374332
5,5-Diethoxypent-2-enal
CID 71353644
(E)-2-methyl-5,5-di(propan-2-yloxy)pent-2-enal
CID 44521255
5-(1-Ethoxy-ethoxy)-4-methyl-hex-2-enal
CID 5366374
(E)-7,7-diethoxyhept-3-en-2-one
CID 21604555
(Z)-6,6-di(propan-2-yloxy)hex-3-enal
CID 21629440
5-(Methoxymethoxy)pent-2-enal
CID 357777

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1-ethoxyethoxy)hex-2-enal?
The IUPAC name of (E)-5-(1-ethoxyethoxy)hex-2-enal (CID 5366371) is (E)-5-(1-ethoxyethoxy)hex-2-enal.
What is the SMILES notation for (E)-5-(1-ethoxyethoxy)hex-2-enal?
The canonical SMILES for (E)-5-(1-ethoxyethoxy)hex-2-enal is CCOC(C)OC(C)C/C=C/C=O.
What is the InChIKey of (E)-5-(1-ethoxyethoxy)hex-2-enal?
The InChIKey is LWYXPMAYJCGFFE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-12-10(3)13-9(2)7-5-6-8-11/h5-6,8-10H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-5-(1-ethoxyethoxy)hex-2-enal?
(E)-5-(1-ethoxyethoxy)hex-2-enal has a molecular weight of 186.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1-ethoxyethoxy)hex-2-enal is sourced from PubChem (CID 5366371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).