2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde

C7H12O3 — CID 123701316

IUPAC2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde
SMILESCOC(C=O)C1(OC)CC1
InChIInChI=1S/C7H12O3/c1-9-6(5-8)7(10-2)3-4-7/h5-6H,3-4H2,1-2H3
InChIKeyMUWNNTLJFZSMNT-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.38
Rot. Bonds4

About 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde

2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde (PubChem CID 123701316) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde
PubChem CID123701316
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde
SMILESCOC(C=O)C1(OC)CC1
InChIInChI=1S/C7H12O3/c1-9-6(5-8)7(10-2)3-4-7/h5-6H,3-4H2,1-2H3
InChIKeyMUWNNTLJFZSMNT-UHFFFAOYSA-N
XLogP0.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.38
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

(2R)-3,3-diethyloxirane-2-carbaldehyde
CID 53927334
3,3-Diethyloxirane-2-carbaldehyde
CID 23045407
(2R,3S)-3-ethyl-2-methyloxirane-2-carbaldehyde
CID 14831303
3-Ethyl-2-methyloxirane-2-carbaldehyde
CID 14831302
2-Cyclopropyl-2-methoxyacetaldehyde
CID 83826166
(2R)-2-cyclopropyl-2-methoxyacetaldehyde
CID 124547234
(2S)-2-cyclopropyl-2-methoxyacetaldehyde
CID 124547235
2,3-Dimethoxy-2-methylbutanal
CID 126997192
(2S,3S)-3-ethyl-2-methyloxirane-2-carbaldehyde
CID 131011210
2,3-Dimethoxypentanal
CID 131113810

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde?
The IUPAC name of 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde (CID 123701316) is 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde.
What is the SMILES notation for 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde?
The canonical SMILES for 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde is COC(C=O)C1(OC)CC1.
What is the InChIKey of 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde?
The InChIKey is MUWNNTLJFZSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-6(5-8)7(10-2)3-4-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde?
2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methoxycyclopropyl)acetaldehyde is sourced from PubChem (CID 123701316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).