3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde

C10H18O4 — CID 20662025

IUPAC3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde
SMILESCOC1C(C=O)OC(C)C(C)C1OC
InChIInChI=1S/C10H18O4/c1-6-7(2)14-8(5-11)10(13-4)9(6)12-3/h5-10H,1-4H3
InChIKeyAIHHWNGJZMVKQC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.64
Rot. Bonds3

About 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde

3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde (PubChem CID 20662025) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde
PubChem CID20662025
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde
SMILESCOC1C(C=O)OC(C)C(C)C1OC
InChIInChI=1S/C10H18O4/c1-6-7(2)14-8(5-11)10(13-4)9(6)12-3/h5-10H,1-4H3
InChIKeyAIHHWNGJZMVKQC-UHFFFAOYSA-N
XLogP0.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-carboxaldehyde
CID 19699692
carbanide;3-methoxy-4,5-dimethyl-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
CID 20576708
carbanide;3-methoxy-5-methyl-4-methylphosphanyloxy-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
CID 20576710
3-Methoxy-4,5,6-trimethyloxane-2-carbaldehyde
CID 20768709
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418
(2R,5S)-4-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxane-2-carbaldehyde
CID 59085458
(3S,4S,5S)-4,5-dimethoxy-6-(2-oxopropyl)oxane-2,3-dicarbaldehyde
CID 89412895
(3S,4S,5S)-4,5-dimethoxy-6-(3-methyl-2-oxobutyl)oxane-2,3-dicarbaldehyde
CID 89412905
3,4-Dimethoxy-6-propyloxane-2-carbaldehyde
CID 90175763
(3S,5S)-3,5-bis(2-ethylhexoxy)oxane-4-carbaldehyde
CID 126614819
1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone
CID 129044728

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde?
The IUPAC name of 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde (CID 20662025) is 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde.
What is the SMILES notation for 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde?
The canonical SMILES for 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde is COC1C(C=O)OC(C)C(C)C1OC.
What is the InChIKey of 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde?
The InChIKey is AIHHWNGJZMVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-7(2)14-8(5-11)10(13-4)9(6)12-3/h5-10H,1-4H3.
What are the key properties of 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde?
3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5,6-dimethyloxane-2-carbaldehyde is sourced from PubChem (CID 20662025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).