2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde

C9H12O2 — CID 163265134

IUPAC2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde
SMILESCC1=C(OCC=O)C=CCC1
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h3,5-6H,2,4,7H2,1H3
InChIKeyOOLBIRUMEHDULA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds3

About 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde

2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde (PubChem CID 163265134) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde
PubChem CID163265134
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde
SMILESCC1=C(OCC=O)C=CCC1
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h3,5-6H,2,4,7H2,1H3
InChIKeyOOLBIRUMEHDULA-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
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

p-Dimethoxybenzaldehyde
CID 20571334
2-Methylpyran-2-carbaldehyde
CID 18185038
(4-Prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone
CID 18707346
1,4-Dipropoxybenzaldehyde
CID 20571333
1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
(3-Ethoxycyclohexa-2,4-dien-1-ylidene)methanone
CID 53843626
6-Cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-carbaldehyde
CID 57479876
1-(3,5-Dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 58711671
1-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanone
CID 66971106
5-(2-Methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine-2-carbaldehyde
CID 87151094
5-Cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-carbaldehyde
CID 87187460
1,4-Diethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88339028

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde?
The IUPAC name of 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde (CID 163265134) is 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde?
The canonical SMILES for 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde is CC1=C(OCC=O)C=CCC1.
What is the InChIKey of 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde?
The InChIKey is OOLBIRUMEHDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde?
2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexa-1,5-dien-1-yl)oxyacetaldehyde is sourced from PubChem (CID 163265134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).