2,3-dimethoxypentanal

C7H14O3 — CID 131113810

IUPAC2,3-dimethoxypentanal
SMILESCCC(OC)C(C=O)OC
InChIInChI=1S/C7H14O3/c1-4-6(9-2)7(5-8)10-3/h5-7H,4H2,1-3H3
InChIKeyQTWGXZUCVRVXJD-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.63
Rot. Bonds5

About 2,3-dimethoxypentanal

2,3-dimethoxypentanal (PubChem CID 131113810) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dimethoxypentanal.

Molecular Properties

Compound Name2,3-dimethoxypentanal
PubChem CID131113810
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2,3-dimethoxypentanal
SMILESCCC(OC)C(C=O)OC
InChIInChI=1S/C7H14O3/c1-4-6(9-2)7(5-8)10-3/h5-7H,4H2,1-3H3
InChIKeyQTWGXZUCVRVXJD-UHFFFAOYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.63
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-Dimethoxypropanal
CID 12962854
3-Ethyloxirane-2-carbaldehyde
CID 21537140
(2S)-3-ethyloxirane-2-carbaldehyde
CID 135005773
(2S)-2,3-dimethoxypropanal
CID 12962856
2,3-Dimethoxybutanedial
CID 16036874
3-Butoxy-2-methoxypentanedial
CID 19089680
2-Methoxy-3-propan-2-yloxypropanal
CID 20343126
2-Methoxypentanal
CID 21900379
3-Ethoxy-2-methoxypentanedial
CID 54524957
2,3-Diethoxypropanal
CID 57039610
2-Ethoxypentanal
CID 57268596
(2R)-2-Methoxypentanal
CID 57559006

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypentanal?
The IUPAC name of 2,3-dimethoxypentanal (CID 131113810) is 2,3-dimethoxypentanal.
What is the SMILES notation for 2,3-dimethoxypentanal?
The canonical SMILES for 2,3-dimethoxypentanal is CCC(OC)C(C=O)OC.
What is the InChIKey of 2,3-dimethoxypentanal?
The InChIKey is QTWGXZUCVRVXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-6(9-2)7(5-8)10-3/h5-7H,4H2,1-3H3.
What are the key properties of 2,3-dimethoxypentanal?
2,3-dimethoxypentanal has a molecular weight of 146.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypentanal is sourced from PubChem (CID 131113810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).