tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate

C20H20O4 — CID 23352056

IUPACtert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
SMILESCC(C)(C)OC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O4/c1-20(2,3)24-19(22)18(23-12-21)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-12,17-18H,1-3H3
InChIKeyKACIMLLKCFSGES-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate

tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate (PubChem CID 23352056) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
PubChem CID23352056
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Nametert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
SMILESCC(C)(C)OC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O4/c1-20(2,3)24-19(22)18(23-12-21)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-12,17-18H,1-3H3
InChIKeyKACIMLLKCFSGES-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The IUPAC name of tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate (CID 23352056) is tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate.
What is the SMILES notation for tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The canonical SMILES for tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate is CC(C)(C)OC(=O)C(OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The InChIKey is KACIMLLKCFSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2,3)24-19(22)18(23-12-21)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-12,17-18H,1-3H3.
What are the key properties of tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate has a molecular weight of 324.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate is sourced from PubChem (CID 23352056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).