2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde

C18H16O4 — CID 19065702

IUPAC2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
SMILESO=CCc1ccc(CC=O)c2c(CC=O)ccc(CC=O)c12
InChIInChI=1S/C18H16O4/c19-9-5-13-1-2-14(6-10-20)18-16(8-12-22)4-3-15(7-11-21)17(13)18/h1-4,9-12H,5-8H2
InChIKeyUEUARKMGUKRLSV-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.81
Rot. Bonds8

About 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde

2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde (PubChem CID 19065702) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
PubChem CID19065702
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
SMILESO=CCc1ccc(CC=O)c2c(CC=O)ccc(CC=O)c12
InChIInChI=1S/C18H16O4/c19-9-5-13-1-2-14(6-10-20)18-16(8-12-22)4-3-15(7-11-21)17(13)18/h1-4,9-12H,5-8H2
InChIKeyUEUARKMGUKRLSV-UHFFFAOYSA-N
XLogP1.81
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthaldehyde
CID 6195
2-Naphthalenecarboxaldehyde
CID 6201
9-Anthracenecarboxaldehyde
CID 69504
2,3-Naphthalenedicarboxaldehyde
CID 96400
Dehydroabietinal
CID 11694869
1-Pyrenecarboxaldehyde
CID 232848
3-(4-Isobutyl-2-methylphenyl)propanal
CID 17877030
1-Naphthalenecarboxaldehyde, 4-methyl-
CID 141839
2-(1-Naphthyl)cyclohexanone
CID 282983
10-Methylanthracene-9-carbaldehyde
CID 81519
2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-
CID 42674
Biphenyl-4-ylacetaldehyde
CID 3491292

Frequently Asked Questions

What is the IUPAC name of 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde?
The IUPAC name of 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde (CID 19065702) is 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde?
The canonical SMILES for 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde is O=CCc1ccc(CC=O)c2c(CC=O)ccc(CC=O)c12.
What is the InChIKey of 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde?
The InChIKey is UEUARKMGUKRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c19-9-5-13-1-2-14(6-10-20)18-16(8-12-22)4-3-15(7-11-21)17(13)18/h1-4,9-12H,5-8H2.
What are the key properties of 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde?
2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde has a molecular weight of 296.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde is sourced from PubChem (CID 19065702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).