3-ethyl-5-methoxypentanal

C8H16O2 — CID 130284598

IUPAC3-ethyl-5-methoxypentanal
SMILESCCC(CC=O)CCOC
InChIInChI=1S/C8H16O2/c1-3-8(4-6-9)5-7-10-2/h6,8H,3-5,7H2,1-2H3
InChIKeyXDFULZDJDLSVOZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds6

About 3-ethyl-5-methoxypentanal

3-ethyl-5-methoxypentanal (PubChem CID 130284598) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-5-methoxypentanal.

Molecular Properties

Compound Name3-ethyl-5-methoxypentanal
PubChem CID130284598
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-5-methoxypentanal
SMILESCCC(CC=O)CCOC
InChIInChI=1S/C8H16O2/c1-3-8(4-6-9)5-7-10-2/h6,8H,3-5,7H2,1-2H3
InChIKeyXDFULZDJDLSVOZ-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-ethylhexanal
CID 15829179
3-(2-methoxyethoxy)pentanal
CID 123489699
2-ethyl-4-methoxybutan-1-ol
CID 66058779
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
(3R)-3-ethyl-1-methoxynonane
CID 118890071
3-(2-oxoethyl)hexyl propanoate
CID 88531012
1-methoxy-2-(methoxymethyl)butane
CID 23295181
3-[(propan-2-ylamino)methyl]pentanal
CID 88913198
6-ethyl-N-(2-methoxyethyl)dec-3-en-1-amine
CID 79599040
1-methoxypropane;propanal
CID 142927001
(3S)-3,4-dimethoxybutanal
CID 11535563

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxypentanal?
The IUPAC name of 3-ethyl-5-methoxypentanal (CID 130284598) is 3-ethyl-5-methoxypentanal.
What is the SMILES notation for 3-ethyl-5-methoxypentanal?
The canonical SMILES for 3-ethyl-5-methoxypentanal is CCC(CC=O)CCOC.
What is the InChIKey of 3-ethyl-5-methoxypentanal?
The InChIKey is XDFULZDJDLSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(4-6-9)5-7-10-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-5-methoxypentanal?
3-ethyl-5-methoxypentanal has a molecular weight of 144.21 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxypentanal is sourced from PubChem (CID 130284598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).