2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde

C10H18O3 — CID 171562499

IUPAC2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
SMILESCOC1(CC=O)OC(C)CCC1C
InChIInChI=1S/C10H18O3/c1-8-4-5-9(2)13-10(8,12-3)6-7-11/h7-9H,4-6H2,1-3H3
InChIKeyYRTQAUPWHQZVER-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde

2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde (PubChem CID 171562499) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
PubChem CID171562499
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde
SMILESCOC1(CC=O)OC(C)CCC1C
InChIInChI=1S/C10H18O3/c1-8-4-5-9(2)13-10(8,12-3)6-7-11/h7-9H,4-6H2,1-3H3
InChIKeyYRTQAUPWHQZVER-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
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

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CID 105430923
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2-[(1R,2S,3R,6S,8S)-2,3,6-trimethyl-9-oxo-10,11-dioxatricyclo[6.2.1.02,6]undecan-8-yl]acetaldehyde
CID 162972026
1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]propan-1-one
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2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
7-(1-bicyclo[2.2.1]heptanyl)-3-methoxyhept-5-enal
CID 174415308
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
CID 66919644
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CID 130743446
CID 20652008
CID 20652008

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The IUPAC name of 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde (CID 171562499) is 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde is COC1(CC=O)OC(C)CCC1C.
What is the InChIKey of 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
The InChIKey is YRTQAUPWHQZVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-4-5-9(2)13-10(8,12-3)6-7-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde?
2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,6-dimethyloxan-2-yl)acetaldehyde is sourced from PubChem (CID 171562499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).