dipropyl benzene-1,2-dicarboxylate

C14H18O4 — CID 8559

IUPACdipropyl benzene-1,2-dicarboxylate
SMILESCCCOC(=O)c1ccccc1C(=O)OCCC
InChIInChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyMQHNKCZKNAJROC-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.82
Rot. Bonds6

About dipropyl benzene-1,2-dicarboxylate

dipropyl benzene-1,2-dicarboxylate (PubChem CID 8559) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is dipropyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropyl benzene-1,2-dicarboxylate
PubChem CID8559
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namedipropyl benzene-1,2-dicarboxylate
SMILESCCCOC(=O)c1ccccc1C(=O)OCCC
InChIInChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyMQHNKCZKNAJROC-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropyl benzene-1,2-dicarboxylate?
The IUPAC name of dipropyl benzene-1,2-dicarboxylate (CID 8559) is dipropyl benzene-1,2-dicarboxylate.
What is the SMILES notation for dipropyl benzene-1,2-dicarboxylate?
The canonical SMILES for dipropyl benzene-1,2-dicarboxylate is CCCOC(=O)c1ccccc1C(=O)OCCC.
What is the InChIKey of dipropyl benzene-1,2-dicarboxylate?
The InChIKey is MQHNKCZKNAJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of dipropyl benzene-1,2-dicarboxylate?
dipropyl benzene-1,2-dicarboxylate has a molecular weight of 250.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 8559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).