1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde

C9H10O3 — CID 151359392

IUPAC1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde
SMILESCOC1(C=O)C=CC=C(C=O)C1
InChIInChI=1S/C9H10O3/c1-12-9(7-11)4-2-3-8(5-9)6-10/h2-4,6-7H,5H2,1H3
InChIKeyOODQYWKHHBWACC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.66
Rot. Bonds3

About 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde

1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde (PubChem CID 151359392) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde
PubChem CID151359392
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde
SMILESCOC1(C=O)C=CC=C(C=O)C1
InChIInChI=1S/C9H10O3/c1-12-9(7-11)4-2-3-8(5-9)6-10/h2-4,6-7H,5H2,1H3
InChIKeyOODQYWKHHBWACC-UHFFFAOYSA-N
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.66
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

2-methyl-3-(5-oxo-2H-pyran-2-yl)propanal
CID 44351567
2-methyl-3-(6-methyl-5-oxo-2H-pyran-2-yl)propanal
CID 44351602
5-Fluoro-5-methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 22037427
(5-Formyl-1,3-dimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134868421
5-Methoxy-6-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 23080788
3-Methoxyisophthalaldehydic acid methyl ester
CID 86736055
5-Methoxy-5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 122588002
Ethyl 5-formyl-5-prop-2-enoxycyclohexa-1,3-diene-1-carboxylate
CID 140017371
1,3-Dimethoxy-5-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 140580497
5-Ethoxy-3,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde
CID 152231289
1-Hydroxycyclohexa-3,5-diene-1,3-dicarbaldehyde
CID 172735452
5-Methoxy-5,6-dimethylcyclohexa-1,3-diene-1-carbaldehyde
CID 173369911

Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde?
The IUPAC name of 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde (CID 151359392) is 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde.
What is the SMILES notation for 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde?
The canonical SMILES for 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde is COC1(C=O)C=CC=C(C=O)C1.
What is the InChIKey of 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde?
The InChIKey is OODQYWKHHBWACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-9(7-11)4-2-3-8(5-9)6-10/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde?
1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde is sourced from PubChem (CID 151359392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).