1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde

C10H14O3 — CID 140580487

IUPAC1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1C=C(C)C=CC1(C=O)OC
InChIInChI=1S/C10H14O3/c1-8-4-5-10(7-11,13-3)9(6-8)12-2/h4-7,9H,1-3H3
InChIKeyHRKZTNGYDJTOHI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.10
Rot. Bonds3

About 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde

1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 140580487) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID140580487
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1C=C(C)C=CC1(C=O)OC
InChIInChI=1S/C10H14O3/c1-8-4-5-10(7-11,13-3)9(6-8)12-2/h4-7,9H,1-3H3
InChIKeyHRKZTNGYDJTOHI-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.10
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

p-Dimethoxybenzaldehyde
CID 20571334
5-Fluoro-1-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 23291758
1,2-Epoxycuminaldehyde
CID 129868710
1,4-Diisopropoxybenzaldehyde
CID 20571336
1-(1,6-Diethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 69821775
6-(2-Methoxyethoxy)-1-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 87731936
1-Hydroxy-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88009664
1,5,6-Trimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 88244508
1,6-Dimethoxy-2-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 88254435
methyl (1S,6R)-1,6-dimethoxycyclohexa-2,4-diene-1-carboxylate
CID 130399512
(1S,6R)-1,6-dimethoxycyclohexa-2,4-diene-1-carbaldehyde
CID 130399513
(3aS,7aR)-2,2-dimethyl-7aH-1,3-benzodioxole-3a-carbaldehyde
CID 130399528

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde (CID 140580487) is 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde is COC1C=C(C)C=CC1(C=O)OC.
What is the InChIKey of 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is HRKZTNGYDJTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-4-5-10(7-11,13-3)9(6-8)12-2/h4-7,9H,1-3H3.
What are the key properties of 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde?
1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 140580487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).