3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde

C8H14O5 — CID 59573816

IUPAC3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde
SMILESCOC1OC(C=O)C(O)C(O)C1C
InChIInChI=1S/C8H14O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h3-8,10-11H,1-2H3
InChIKeyTVCXVLWFNGYSNL-UHFFFAOYSA-N
MW190.19 g/mol
LogP-1.09
Rot. Bonds2

About 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde

3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde (PubChem CID 59573816) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde
PubChem CID59573816
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde
SMILESCOC1OC(C=O)C(O)C(O)C1C
InChIInChI=1S/C8H14O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h3-8,10-11H,1-2H3
InChIKeyTVCXVLWFNGYSNL-UHFFFAOYSA-N
XLogP-1.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde?
The IUPAC name of 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde (CID 59573816) is 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde.
What is the SMILES notation for 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde?
The canonical SMILES for 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde is COC1OC(C=O)C(O)C(O)C1C.
What is the InChIKey of 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde?
The InChIKey is TVCXVLWFNGYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h3-8,10-11H,1-2H3.
What are the key properties of 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde?
3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde has a molecular weight of 190.19 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-6-methoxy-5-methyloxane-2-carbaldehyde is sourced from PubChem (CID 59573816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).