5-ethyl-2-methoxyoxolane-3-carbaldehyde

C8H14O3 — CID 54166474

IUPAC5-ethyl-2-methoxyoxolane-3-carbaldehyde
SMILESCCC1CC(C=O)C(OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(5-9)8(10-2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyORZMBHYDGHHKIP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds3

About 5-ethyl-2-methoxyoxolane-3-carbaldehyde

5-ethyl-2-methoxyoxolane-3-carbaldehyde (PubChem CID 54166474) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-ethyl-2-methoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-methoxyoxolane-3-carbaldehyde
PubChem CID54166474
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-ethyl-2-methoxyoxolane-3-carbaldehyde
SMILESCCC1CC(C=O)C(OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(5-9)8(10-2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyORZMBHYDGHHKIP-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-2-methyloxolane-3-carbaldehyde
CID 14437433
2,5-Dimethoxy-5-methyloxolane-3-carbaldehyde
CID 21667204
4,7-Dimethyl-2-pentyl-1,3-dioxepane-5-carbaldehyde
CID 20129884
2-(Diethoxymethyl)hexanal
CID 12794207
2-Ethyl-5-methoxyoxolane-3-carbaldehyde
CID 14437435
3-Formyl-2-methoxy-1,6-dioxaspiro[4.4]nonane
CID 15653727
(2S,3S,5S)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 129449860
2-[(2S,5S)-5-methoxyoxolan-2-yl]acetaldehyde
CID 131002253
(3S)-3-methyl-6-(oxolan-2-yloxy)hexanal
CID 18601301
2-Methoxy-5-methyloxolane-3-carbaldehyde
CID 20696898
3-Methyl-6-(oxolan-2-yloxy)hexanal
CID 21245251
2,5-Diethyl-2,5-dimethoxyoxolane-3-carbaldehyde
CID 21667205

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxyoxolane-3-carbaldehyde?
The IUPAC name of 5-ethyl-2-methoxyoxolane-3-carbaldehyde (CID 54166474) is 5-ethyl-2-methoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-methoxyoxolane-3-carbaldehyde?
The canonical SMILES for 5-ethyl-2-methoxyoxolane-3-carbaldehyde is CCC1CC(C=O)C(OC)O1.
What is the InChIKey of 5-ethyl-2-methoxyoxolane-3-carbaldehyde?
The InChIKey is ORZMBHYDGHHKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-4-6(5-9)8(10-2)11-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxyoxolane-3-carbaldehyde?
5-ethyl-2-methoxyoxolane-3-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 54166474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).