2-(4-methoxyoxan-4-yl)acetaldehyde

C8H14O3 — CID 105430923

IUPAC2-(4-methoxyoxan-4-yl)acetaldehyde
SMILESCOC1(CC=O)CCOCC1
InChIInChI=1S/C8H14O3/c1-10-8(2-5-9)3-6-11-7-4-8/h5H,2-4,6-7H2,1H3
InChIKeyXQKZLBLACPCVSR-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds3

About 2-(4-methoxyoxan-4-yl)acetaldehyde

2-(4-methoxyoxan-4-yl)acetaldehyde (PubChem CID 105430923) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)acetaldehyde
PubChem CID105430923
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(4-methoxyoxan-4-yl)acetaldehyde
SMILESCOC1(CC=O)CCOCC1
InChIInChI=1S/C8H14O3/c1-10-8(2-5-9)3-6-11-7-4-8/h5H,2-4,6-7H2,1H3
InChIKeyXQKZLBLACPCVSR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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

2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane
CID 54026217
(4-methoxyoxan-4-yl)methanethiol
CID 155822581
methyl 4-(2-oxoethyl)oxane-4-carboxylate
CID 58468045
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-(4-methoxy-1,1-dioxothiepan-4-yl)acetaldehyde
CID 105476097
2-(3-methoxy-1,1-dioxothietan-3-yl)acetaldehyde
CID 105437470
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)acetaldehyde?
The IUPAC name of 2-(4-methoxyoxan-4-yl)acetaldehyde (CID 105430923) is 2-(4-methoxyoxan-4-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)acetaldehyde?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)acetaldehyde is COC1(CC=O)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)acetaldehyde?
The InChIKey is XQKZLBLACPCVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8(2-5-9)3-6-11-7-4-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)acetaldehyde?
2-(4-methoxyoxan-4-yl)acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)acetaldehyde is sourced from PubChem (CID 105430923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).