(E)-6-(2-methoxyethoxymethoxy)hex-2-enal

C10H18O4 — CID 134861078

IUPAC(E)-6-(2-methoxyethoxymethoxy)hex-2-enal
SMILESCOCCOCOCCC/C=C/C=O
InChIInChI=1S/C10H18O4/c1-12-8-9-14-10-13-7-5-3-2-4-6-11/h2,4,6H,3,5,7-10H2,1H3/b4-2+
InChIKeyBUDQBCWNNAVNMY-DUXPYHPUSA-N
MW202.25 g/mol
LogP1.16
Rot. Bonds10

About (E)-6-(2-methoxyethoxymethoxy)hex-2-enal

(E)-6-(2-methoxyethoxymethoxy)hex-2-enal (PubChem CID 134861078) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (E)-6-(2-methoxyethoxymethoxy)hex-2-enal.

Molecular Properties

Compound Name(E)-6-(2-methoxyethoxymethoxy)hex-2-enal
PubChem CID134861078
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(E)-6-(2-methoxyethoxymethoxy)hex-2-enal
SMILESCOCCOCOCCC/C=C/C=O
InChIInChI=1S/C10H18O4/c1-12-8-9-14-10-13-7-5-3-2-4-6-11/h2,4,6H,3,5,7-10H2,1H3/b4-2+
InChIKeyBUDQBCWNNAVNMY-DUXPYHPUSA-N
XLogP1.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of (E)-6-(2-methoxyethoxymethoxy)hex-2-enal?
The IUPAC name of (E)-6-(2-methoxyethoxymethoxy)hex-2-enal (CID 134861078) is (E)-6-(2-methoxyethoxymethoxy)hex-2-enal.
What is the SMILES notation for (E)-6-(2-methoxyethoxymethoxy)hex-2-enal?
The canonical SMILES for (E)-6-(2-methoxyethoxymethoxy)hex-2-enal is COCCOCOCCC/C=C/C=O.
What is the InChIKey of (E)-6-(2-methoxyethoxymethoxy)hex-2-enal?
The InChIKey is BUDQBCWNNAVNMY-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-8-9-14-10-13-7-5-3-2-4-6-11/h2,4,6H,3,5,7-10H2,1H3/b4-2+.
What are the key properties of (E)-6-(2-methoxyethoxymethoxy)hex-2-enal?
(E)-6-(2-methoxyethoxymethoxy)hex-2-enal has a molecular weight of 202.25 g/mol, XLogP of 1.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-methoxyethoxymethoxy)hex-2-enal is sourced from PubChem (CID 134861078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).