2-cyclohexa-1,5-dien-1-yloxyacetaldehyde

C8H10O2 — CID 142289150

IUPAC2-cyclohexa-1,5-dien-1-yloxyacetaldehyde
SMILESO=CCOC1=CCCC=C1
InChIInChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h2,4-6H,1,3,7H2
InChIKeyQTZAUURAPWXXDL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde

2-cyclohexa-1,5-dien-1-yloxyacetaldehyde (PubChem CID 142289150) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yloxyacetaldehyde
PubChem CID142289150
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-cyclohexa-1,5-dien-1-yloxyacetaldehyde
SMILESO=CCOC1=CCCC=C1
InChIInChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h2,4-6H,1,3,7H2
InChIKeyQTZAUURAPWXXDL-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-pyran-2-carbaldehyde
CID 21998011
1-(4-Fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 68173363
2-(4-Chloro-3-fluorocyclohexa-1,5-dien-1-yl)oxyacetaldehyde
CID 142585654
2-Methylpyran-2-carbaldehyde
CID 18185038
(4-Prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone
CID 18707346
1,4-Dipropoxybenzaldehyde
CID 20571333
2-Cyclohexa-1,3-dien-1-yloxyacetaldehyde
CID 23037637
1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
2-Cyclohexa-2,4-dien-1-yloxyacetaldehyde
CID 53794257
6-Cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-carbaldehyde
CID 57479876
1,4-Diethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88339028
(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal
CID 88943880

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde (CID 142289150) is 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde is O=CCOC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde?
The InChIKey is QTZAUURAPWXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h2,4-6H,1,3,7H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde?
2-cyclohexa-1,5-dien-1-yloxyacetaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yloxyacetaldehyde is sourced from PubChem (CID 142289150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).