dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate

C32H40O4 — CID 141391934

IUPACdicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate
SMILESCC(C)CC(C(=O)OC1CCCCC1)(C(=O)OC1CCCCC1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H40O4/c1-22(2)21-32(30(33)35-24-13-5-3-6-14-24,31(34)36-25-15-7-4-8-16-25)29-19-11-18-27-26-17-10-9-12-23(26)20-28(27)29/h9-12,17-19,22,24-25H,3-8,13-16,20-21H2,1-2H3
InChIKeyGLOZQSCRZSYZHN-UHFFFAOYSA-N
MW488.67 g/mol
LogP7.29
Rot. Bonds7

About dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate

dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate (PubChem CID 141391934) has the molecular formula C32H40O4 and a molecular weight of 488.67 g/mol. Its IUPAC name is dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate.

Molecular Properties

Compound Namedicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate
PubChem CID141391934
Molecular FormulaC32H40O4
Molecular Weight488.67 g/mol
Exact Mass488.29
IUPAC Namedicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate
SMILESCC(C)CC(C(=O)OC1CCCCC1)(C(=O)OC1CCCCC1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H40O4/c1-22(2)21-32(30(33)35-24-13-5-3-6-14-24,31(34)36-25-15-7-4-8-16-25)29-19-11-18-27-26-17-10-9-12-23(26)20-28(27)29/h9-12,17-19,22,24-25H,3-8,13-16,20-21H2,1-2H3
InChIKeyGLOZQSCRZSYZHN-UHFFFAOYSA-N
XLogP7.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate 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 dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate?
The IUPAC name of dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate (CID 141391934) is dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate.
What is the SMILES notation for dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate?
The canonical SMILES for dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate is CC(C)CC(C(=O)OC1CCCCC1)(C(=O)OC1CCCCC1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate?
The InChIKey is GLOZQSCRZSYZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O4/c1-22(2)21-32(30(33)35-24-13-5-3-6-14-24,31(34)36-25-15-7-4-8-16-25)29-19-11-18-27-26-17-10-9-12-23(26)20-28(27)29/h9-12,17-19,22,24-25H,3-8,13-16,20-21H2,1-2H3.
What are the key properties of dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate?
dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate has a molecular weight of 488.67 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate is sourced from PubChem (CID 141391934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).