4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde

C26H22O6 — CID 15246820

IUPAC4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
SMILESCOCOc1c(C=O)cc2ccccc2c1-c1c(OCOC)c(C=O)cc2ccccc12
InChIInChI=1S/C26H22O6/c1-29-15-31-25-19(13-27)11-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)12-20(14-28)26(24)32-16-30-2/h3-14H,15-16H2,1-2H3
InChIKeySAZKSNRLBUJKJM-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.25
Rot. Bonds9

About 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde

4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde (PubChem CID 15246820) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
PubChem CID15246820
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Name4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
SMILESCOCOc1c(C=O)cc2ccccc2c1-c1c(OCOC)c(C=O)cc2ccccc12
InChIInChI=1S/C26H22O6/c1-29-15-31-25-19(13-27)11-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)12-20(14-28)26(24)32-16-30-2/h3-14H,15-16H2,1-2H3
InChIKeySAZKSNRLBUJKJM-UHFFFAOYSA-N
XLogP5.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde (CID 15246820) is 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde is COCOc1c(C=O)cc2ccccc2c1-c1c(OCOC)c(C=O)cc2ccccc12.
What is the InChIKey of 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde?
The InChIKey is SAZKSNRLBUJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-29-15-31-25-19(13-27)11-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)12-20(14-28)26(24)32-16-30-2/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde?
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde has a molecular weight of 430.46 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 15246820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).