2,6-dipropylnaphthalene-1,8-dicarboxylic acid

C18H20O4 — CID 69224106

IUPAC2,6-dipropylnaphthalene-1,8-dicarboxylic acid
SMILESCCCc1cc(C(=O)O)c2c(C(=O)O)c(CCC)ccc2c1
InChIInChI=1S/C18H20O4/c1-3-5-11-9-13-8-7-12(6-4-2)16(18(21)22)15(13)14(10-11)17(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJPWOLEGGCNCXSY-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.14
Rot. Bonds6

About 2,6-dipropylnaphthalene-1,8-dicarboxylic acid

2,6-dipropylnaphthalene-1,8-dicarboxylic acid (PubChem CID 69224106) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,6-dipropylnaphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dipropylnaphthalene-1,8-dicarboxylic acid
PubChem CID69224106
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,6-dipropylnaphthalene-1,8-dicarboxylic acid
SMILESCCCc1cc(C(=O)O)c2c(C(=O)O)c(CCC)ccc2c1
InChIInChI=1S/C18H20O4/c1-3-5-11-9-13-8-7-12(6-4-2)16(18(21)22)15(13)14(10-11)17(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJPWOLEGGCNCXSY-UHFFFAOYSA-N
XLogP4.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethylnaphthalene-1,8-dicarboxylic acid
CID 70141168
2,5-dipropylbenzoic acid
CID 139904729
3-propylphthalic acid;4-propylphthalic acid
CID 159854909
2,6-dipropylnaphthalene-1,3-dicarboxylic acid
CID 54251362
5-hydroxy-2-propylbenzoic acid
CID 23105136
7-propylquinoline-8-carboxylic acid
CID 86190873
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
4-propyl-3-undecylphthalic acid
CID 69473575
2,4-dibutylbenzene-1,3-dicarboxylic acid
CID 23617934
2-(2-ethoxyethyl)naphthalene-1,4,5,8-tetracarboxylic acid
CID 21265398
sodium;dimethyl 4-propylbenzene-1,2-dicarboxylate;4-propylphthalic acid;hydroxide
CID 160669639
2-butylanthracene-1-carboxylic acid
CID 14598495

Frequently Asked Questions

What is the IUPAC name of 2,6-dipropylnaphthalene-1,8-dicarboxylic acid?
The IUPAC name of 2,6-dipropylnaphthalene-1,8-dicarboxylic acid (CID 69224106) is 2,6-dipropylnaphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 2,6-dipropylnaphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 2,6-dipropylnaphthalene-1,8-dicarboxylic acid is CCCc1cc(C(=O)O)c2c(C(=O)O)c(CCC)ccc2c1.
What is the InChIKey of 2,6-dipropylnaphthalene-1,8-dicarboxylic acid?
The InChIKey is JPWOLEGGCNCXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-5-11-9-13-8-7-12(6-4-2)16(18(21)22)15(13)14(10-11)17(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2,6-dipropylnaphthalene-1,8-dicarboxylic acid?
2,6-dipropylnaphthalene-1,8-dicarboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropylnaphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 69224106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).