(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal

C11H20O4 — CID 10798759

IUPAC(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal
SMILESCOCCOCOC(C)(C)C/C=C/C=O
InChIInChI=1S/C11H20O4/c1-11(2,6-4-5-7-12)15-10-14-9-8-13-3/h4-5,7H,6,8-10H2,1-3H3/b5-4+
InChIKeyJUBMPEIAQUYMBM-SNAWJCMRSA-N
MW216.28 g/mol
LogP1.55
Rot. Bonds9

About (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal

(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal (PubChem CID 10798759) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal.

Molecular Properties

Compound Name(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal
PubChem CID10798759
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal
SMILESCOCCOCOC(C)(C)C/C=C/C=O
InChIInChI=1S/C11H20O4/c1-11(2,6-4-5-7-12)15-10-14-9-8-13-3/h4-5,7H,6,8-10H2,1-3H3/b5-4+
InChIKeyJUBMPEIAQUYMBM-SNAWJCMRSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-6-(2-methoxyethoxymethoxy)hex-2-enal
CID 134861078
5-(1-Ethoxy-ethoxy)-4-methyl-hex-2-enal
CID 5366374
(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal
CID 118123282
(E)-4,5-bis(methoxymethoxy)-4-methylpent-2-enal
CID 101186920

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal?
The IUPAC name of (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal (CID 10798759) is (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal.
What is the SMILES notation for (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal?
The canonical SMILES for (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal is COCCOCOC(C)(C)C/C=C/C=O.
What is the InChIKey of (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal?
The InChIKey is JUBMPEIAQUYMBM-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2,6-4-5-7-12)15-10-14-9-8-13-3/h4-5,7H,6,8-10H2,1-3H3/b5-4+.
What are the key properties of (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal?
(E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal has a molecular weight of 216.28 g/mol, XLogP of 1.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methoxyethoxymethoxy)-5-methylhex-2-enal is sourced from PubChem (CID 10798759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).