Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate

C32H50O5 — CID 22679066

IUPACdicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
SMILESC1CCCCCC(CCCCC1)OC(=O)C2=CC(=CC(=C2)O)C(=O)OC3CCCCCCCCCCC3
InChIInChI=1S/C32H50O5/c33-28-24-26(31(34)36-29-19-15-11-7-3-1-4-8-12-16-20-29)23-27(25-28)32(35)37-30-21-17-13-9-5-2-6-10-14-18-22-30/h23-25,29-30,33H,1-22H2
InChIKeyDUCWUILPNXMCFB-UHFFFAOYSA-N
MW514.70 g/mol
LogP11.40
Rot. Bonds6

About Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate

Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate (PubChem CID 22679066) has the molecular formula C32H50O5 and a molecular weight of 514.70 g/mol. Its IUPAC name is dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound NameDicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
PubChem CID22679066
Molecular FormulaC32H50O5
Molecular Weight514.70 g/mol
Exact Mass514.37
IUPAC Namedicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
SMILESC1CCCCCC(CCCCC1)OC(=O)C2=CC(=CC(=C2)O)C(=O)OC3CCCCCCCCCCC3
InChIInChI=1S/C32H50O5/c33-28-24-26(31(34)36-29-19-15-11-7-3-1-4-8-12-16-20-29)23-27(25-28)32(35)37-30-21-17-13-9-5-2-6-10-14-18-22-30/h23-25,29-30,33H,1-22H2
InChIKeyDUCWUILPNXMCFB-UHFFFAOYSA-N
XLogP11.40
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity559

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate?
The IUPAC name of Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate (CID 22679066) is dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate.
What is the SMILES notation for Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate?
The canonical SMILES for Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate is C1CCCCCC(CCCCC1)OC(=O)C2=CC(=CC(=C2)O)C(=O)OC3CCCCCCCCCCC3.
What is the InChIKey of Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate?
The InChIKey is DUCWUILPNXMCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O5/c33-28-24-26(31(34)36-29-19-15-11-7-3-1-4-8-12-16-20-29)23-27(25-28)32(35)37-30-21-17-13-9-5-2-6-10-14-18-22-30/h23-25,29-30,33H,1-22H2.
What are the key properties of Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate?
Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate has a molecular weight of 514.70 g/mol, XLogP of 11.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 22679066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).