dipropyl tetracene-2,3-dicarboxylate

C26H24O4 — CID 132917219

IUPACdipropyl tetracene-2,3-dicarboxylate
SMILESCCCOC(=O)c1cc2cc3cc4ccccc4cc3cc2cc1C(=O)OCCC
InChIInChI=1S/C26H24O4/c1-3-9-29-25(27)23-15-21-13-19-11-17-7-5-6-8-18(17)12-20(19)14-22(21)16-24(23)26(28)30-10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3
InChIKeyHOEWSAIZWWKWRH-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.28
Rot. Bonds6

About dipropyl tetracene-2,3-dicarboxylate

dipropyl tetracene-2,3-dicarboxylate (PubChem CID 132917219) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is dipropyl tetracene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl tetracene-2,3-dicarboxylate
PubChem CID132917219
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Namedipropyl tetracene-2,3-dicarboxylate
SMILESCCCOC(=O)c1cc2cc3cc4ccccc4cc3cc2cc1C(=O)OCCC
InChIInChI=1S/C26H24O4/c1-3-9-29-25(27)23-15-21-13-19-11-17-7-5-6-8-18(17)12-20(19)14-22(21)16-24(23)26(28)30-10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3
InChIKeyHOEWSAIZWWKWRH-UHFFFAOYSA-N
XLogP6.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

propyl 2-aminoquinoline-3-carboxylate
CID 10775804
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
propyl 2-methylbenzoate
CID 23432654
propyl isoquinoline-3-carboxylate
CID 162715167
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
2-butoxyethyl 3-aminonaphthalene-2-carboxylate
CID 61302466
3-(3-methylbutoxycarbonyl)naphthalene-2-carboxylic acid
CID 175119361
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
ethane;propyl 2-bromobenzoate
CID 90697369

Frequently Asked Questions

What is the IUPAC name of dipropyl tetracene-2,3-dicarboxylate?
The IUPAC name of dipropyl tetracene-2,3-dicarboxylate (CID 132917219) is dipropyl tetracene-2,3-dicarboxylate.
What is the SMILES notation for dipropyl tetracene-2,3-dicarboxylate?
The canonical SMILES for dipropyl tetracene-2,3-dicarboxylate is CCCOC(=O)c1cc2cc3cc4ccccc4cc3cc2cc1C(=O)OCCC.
What is the InChIKey of dipropyl tetracene-2,3-dicarboxylate?
The InChIKey is HOEWSAIZWWKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-3-9-29-25(27)23-15-21-13-19-11-17-7-5-6-8-18(17)12-20(19)14-22(21)16-24(23)26(28)30-10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3.
What are the key properties of dipropyl tetracene-2,3-dicarboxylate?
dipropyl tetracene-2,3-dicarboxylate has a molecular weight of 400.47 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl tetracene-2,3-dicarboxylate is sourced from PubChem (CID 132917219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).