3-(2-methoxyethoxy)pentanal

C8H16O3 — CID 123489699

IUPAC3-(2-methoxyethoxy)pentanal
SMILESCCC(CC=O)OCCOC
InChIInChI=1S/C8H16O3/c1-3-8(4-5-9)11-7-6-10-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyYAJPBSAYBYQFBO-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds7

About 3-(2-methoxyethoxy)pentanal

3-(2-methoxyethoxy)pentanal (PubChem CID 123489699) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)pentanal.

Molecular Properties

Compound Name3-(2-methoxyethoxy)pentanal
PubChem CID123489699
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(2-methoxyethoxy)pentanal
SMILESCCC(CC=O)OCCOC
InChIInChI=1S/C8H16O3/c1-3-8(4-5-9)11-7-6-10-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyYAJPBSAYBYQFBO-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-ethyl-5-methoxypentanal
CID 130284598
(3S)-3,4-dimethoxybutanal
CID 11535563
N-ethyl-2-(2-methoxyethoxy)butan-1-amine
CID 62457499
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
3-ethenoxypentanal
CID 175294702
3-(2-methoxyethoxy)pentanenitrile
CID 43175037
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566817
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
3-(3-propoxypropoxy)hexanal
CID 88612041
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)pentanal?
The IUPAC name of 3-(2-methoxyethoxy)pentanal (CID 123489699) is 3-(2-methoxyethoxy)pentanal.
What is the SMILES notation for 3-(2-methoxyethoxy)pentanal?
The canonical SMILES for 3-(2-methoxyethoxy)pentanal is CCC(CC=O)OCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)pentanal?
The InChIKey is YAJPBSAYBYQFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(4-5-9)11-7-6-10-2/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)pentanal?
3-(2-methoxyethoxy)pentanal has a molecular weight of 160.21 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)pentanal is sourced from PubChem (CID 123489699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).