(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal

C11H20O3 — CID 5366374

IUPAC(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal
SMILESCCOC(C)OC(C)C(C)/C=C/C=O
InChIInChI=1S/C11H20O3/c1-5-13-11(4)14-10(3)9(2)7-6-8-12/h6-11H,5H2,1-4H3/b7-6+
InChIKeyMMVDJXXXSUUFOM-VOTSOKGWSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal

(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal (PubChem CID 5366374) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal.

Molecular Properties

Compound Name(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal
PubChem CID5366374
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal
SMILESCCOC(C)OC(C)C(C)/C=C/C=O
InChIInChI=1S/C11H20O3/c1-5-13-11(4)14-10(3)9(2)7-6-8-12/h6-11H,5H2,1-4H3/b7-6+
InChIKeyMMVDJXXXSUUFOM-VOTSOKGWSA-N
XLogP2.17
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 ≤ 52.17
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

(2E)-5,5-diethoxy-2-pentenal
CID 10511392
5,5-Diethoxypent-2-enal
CID 71353644
(E)-2-methyl-5,5-di(propan-2-yloxy)pent-2-enal
CID 44521255
(2E)-5-(1-Ethoxyethoxy)-2-hexenal
CID 5366371
(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal
CID 10798759
(5E)-8,8-diethoxy-2,7-dimethylocta-2,5-dien-4-one
CID 10900753
5,7,7-Triethoxyhept-2-enal
CID 71328584
5,9,9-Triethoxynona-2,6-dienal
CID 71407309
1,1-diethoxyethane;(E)-hex-2-enal
CID 87112236
(E)-5-(1-ethoxyethoxy)pent-2-enal
CID 87556037
5-(1-Ethoxyethoxy)pent-2-enal
CID 140537543
(E,4S,5R)-4-methyl-5-(oxan-2-yloxy)hept-2-enal
CID 11138840

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal?
The IUPAC name of (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal (CID 5366374) is (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal.
What is the SMILES notation for (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal?
The canonical SMILES for (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal is CCOC(C)OC(C)C(C)/C=C/C=O.
What is the InChIKey of (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal?
The InChIKey is MMVDJXXXSUUFOM-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-13-11(4)14-10(3)9(2)7-6-8-12/h6-11H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal?
(E)-5-(1-ethoxyethoxy)-4-methylhex-2-enal has a molecular weight of 200.28 g/mol, XLogP of 2.17, 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)-4-methylhex-2-enal is sourced from PubChem (CID 5366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).