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

C20H20O4 — CID 54203044

IUPACbutyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
SMILESCCCCOC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O4/c1-2-3-12-23-20(22)19(24-13-21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,2-3,12H2,1H3
InChIKeyOBXHXDJXNSSRCK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.68
Rot. Bonds7

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

butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate (PubChem CID 54203044) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate.

Molecular Properties

Compound Namebutyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
PubChem CID54203044
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Namebutyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
SMILESCCCCOC(=O)C(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20O4/c1-2-3-12-23-20(22)19(24-13-21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,2-3,12H2,1H3
InChIKeyOBXHXDJXNSSRCK-UHFFFAOYSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The IUPAC name of butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate (CID 54203044) is butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate.
What is the SMILES notation for butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The canonical SMILES for butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate is CCCCOC(=O)C(OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
The InChIKey is OBXHXDJXNSSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-2-3-12-23-20(22)19(24-13-21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,2-3,12H2,1H3.
What are the key properties of butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate?
butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate has a molecular weight of 324.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate is sourced from PubChem (CID 54203044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).