6-[2-(2-methoxyethoxy)ethoxy]hexanal

C11H22O4 — CID 58413687

IUPAC6-[2-(2-methoxyethoxy)ethoxy]hexanal
SMILESCOCCOCCOCCCCCC=O
InChIInChI=1S/C11H22O4/c1-13-8-9-15-11-10-14-7-5-3-2-4-6-12/h6H,2-5,7-11H2,1H3
InChIKeyFGILZTZWWLAJQX-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.43
Rot. Bonds12

About 6-[2-(2-methoxyethoxy)ethoxy]hexanal

6-[2-(2-methoxyethoxy)ethoxy]hexanal (PubChem CID 58413687) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethoxy]hexanal.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethoxy]hexanal
PubChem CID58413687
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name6-[2-(2-methoxyethoxy)ethoxy]hexanal
SMILESCOCCOCCOCCCCCC=O
InChIInChI=1S/C11H22O4/c1-13-8-9-15-11-10-14-7-5-3-2-4-6-12/h6H,2-5,7-11H2,1H3
InChIKeyFGILZTZWWLAJQX-UHFFFAOYSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.43
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'}

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Related Compounds

16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
1,8-bis(2-methoxyethoxy)octane
CID 143118909
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
9-(2-oxoethoxy)nonanal
CID 156808348
2-(6-oxohexoxy)ethyl prop-2-enoate
CID 177296509
2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 58331196
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
CID 123354844
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethoxy]hexanal?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethoxy]hexanal (CID 58413687) is 6-[2-(2-methoxyethoxy)ethoxy]hexanal.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethoxy]hexanal?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethoxy]hexanal is COCCOCCOCCCCCC=O.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethoxy]hexanal?
The InChIKey is FGILZTZWWLAJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-13-8-9-15-11-10-14-7-5-3-2-4-6-12/h6H,2-5,7-11H2,1H3.
What are the key properties of 6-[2-(2-methoxyethoxy)ethoxy]hexanal?
6-[2-(2-methoxyethoxy)ethoxy]hexanal has a molecular weight of 218.29 g/mol, XLogP of 1.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethoxy]hexanal is sourced from PubChem (CID 58413687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).