4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde

C10H14O5 — CID 139713616

IUPAC4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde
SMILESCOCOC1(O)C=CC(C=O)=CC1OC
InChIInChI=1S/C10H14O5/c1-13-7-15-10(12)4-3-8(6-11)5-9(10)14-2/h3-6,9,12H,7H2,1-2H3
InChIKeyLTVDXSURKLADCG-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.01
Rot. Bonds5

About 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde

4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 139713616) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde
PubChem CID139713616
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde
SMILESCOCOC1(O)C=CC(C=O)=CC1OC
InChIInChI=1S/C10H14O5/c1-13-7-15-10(12)4-3-8(6-11)5-9(10)14-2/h3-6,9,12H,7H2,1-2H3
InChIKeyLTVDXSURKLADCG-UHFFFAOYSA-N
XLogP0.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde (CID 139713616) is 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde is COCOC1(O)C=CC(C=O)=CC1OC.
What is the InChIKey of 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is LTVDXSURKLADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-7-15-10(12)4-3-8(6-11)5-9(10)14-2/h3-6,9,12H,7H2,1-2H3.
What are the key properties of 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde?
4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 139713616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).