5,8-dimethylnaphthalene-2,3-dicarbaldehyde

C14H12O2 — CID 12579975

IUPAC5,8-dimethylnaphthalene-2,3-dicarbaldehyde
SMILESCc1ccc(C)c2cc(C=O)c(C=O)cc12
InChIInChI=1S/C14H12O2/c1-9-3-4-10(2)14-6-12(8-16)11(7-15)5-13(9)14/h3-8H,1-2H3
InChIKeyLHRZBKSMTLGMBV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.08
Rot. Bonds2

About 5,8-dimethylnaphthalene-2,3-dicarbaldehyde

5,8-dimethylnaphthalene-2,3-dicarbaldehyde (PubChem CID 12579975) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,8-dimethylnaphthalene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5,8-dimethylnaphthalene-2,3-dicarbaldehyde
PubChem CID12579975
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name5,8-dimethylnaphthalene-2,3-dicarbaldehyde
SMILESCc1ccc(C)c2cc(C=O)c(C=O)cc12
InChIInChI=1S/C14H12O2/c1-9-3-4-10(2)14-6-12(8-16)11(7-15)5-13(9)14/h3-8H,1-2H3
InChIKeyLHRZBKSMTLGMBV-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylnaphthalene-2,3-dicarbaldehyde?
The IUPAC name of 5,8-dimethylnaphthalene-2,3-dicarbaldehyde (CID 12579975) is 5,8-dimethylnaphthalene-2,3-dicarbaldehyde.
What is the SMILES notation for 5,8-dimethylnaphthalene-2,3-dicarbaldehyde?
The canonical SMILES for 5,8-dimethylnaphthalene-2,3-dicarbaldehyde is Cc1ccc(C)c2cc(C=O)c(C=O)cc12.
What is the InChIKey of 5,8-dimethylnaphthalene-2,3-dicarbaldehyde?
The InChIKey is LHRZBKSMTLGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-9-3-4-10(2)14-6-12(8-16)11(7-15)5-13(9)14/h3-8H,1-2H3.
What are the key properties of 5,8-dimethylnaphthalene-2,3-dicarbaldehyde?
5,8-dimethylnaphthalene-2,3-dicarbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylnaphthalene-2,3-dicarbaldehyde is sourced from PubChem (CID 12579975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).