diazulen-1-yl butanedioate

C24H18O4 — CID 91384946

IUPACdiazulen-1-yl butanedioate
SMILESO=C(CCC(=O)Oc1ccc2cccccc1-2)Oc1ccc2cccccc1-2
InChIInChI=1S/C24H18O4/c25-23(27-21-13-11-17-7-3-1-5-9-19(17)21)15-16-24(26)28-22-14-12-18-8-4-2-6-10-20(18)22/h1-14H,15-16H2
InChIKeyCNRISQWJLWDVTQ-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.19
Rot. Bonds5

About diazulen-1-yl butanedioate

diazulen-1-yl butanedioate (PubChem CID 91384946) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is diazulen-1-yl butanedioate.

Molecular Properties

Compound Namediazulen-1-yl butanedioate
PubChem CID91384946
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Namediazulen-1-yl butanedioate
SMILESO=C(CCC(=O)Oc1ccc2cccccc1-2)Oc1ccc2cccccc1-2
InChIInChI=1S/C24H18O4/c25-23(27-21-13-11-17-7-3-1-5-9-19(17)21)15-16-24(26)28-22-14-12-18-8-4-2-6-10-20(18)22/h1-14H,15-16H2
InChIKeyCNRISQWJLWDVTQ-UHFFFAOYSA-N
XLogP5.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-pentyl 10-O-(2-phenylphenyl) decanedioate
CID 91725688
1-O-octyl 10-O-(2-phenylphenyl) decanedioate
CID 91725692
(2,4-diphenylphenyl) hydrogen carbonate
CID 121292233
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
CID 66629489
(2-phenylphenyl) 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoate
CID 100611545
[2-(4-but-3-enylphenyl)phenyl] 3-sulfanylpropanoate
CID 147431317
(2-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010693
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
CID 66879164
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320

Frequently Asked Questions

What is the IUPAC name of diazulen-1-yl butanedioate?
The IUPAC name of diazulen-1-yl butanedioate (CID 91384946) is diazulen-1-yl butanedioate.
What is the SMILES notation for diazulen-1-yl butanedioate?
The canonical SMILES for diazulen-1-yl butanedioate is O=C(CCC(=O)Oc1ccc2cccccc1-2)Oc1ccc2cccccc1-2.
What is the InChIKey of diazulen-1-yl butanedioate?
The InChIKey is CNRISQWJLWDVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c25-23(27-21-13-11-17-7-3-1-5-9-19(17)21)15-16-24(26)28-22-14-12-18-8-4-2-6-10-20(18)22/h1-14H,15-16H2.
What are the key properties of diazulen-1-yl butanedioate?
diazulen-1-yl butanedioate has a molecular weight of 370.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazulen-1-yl butanedioate is sourced from PubChem (CID 91384946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).