tert-butyl 9H-fluoren-9-ylmethyl carbonate

C19H20O3 — CID 15338374

IUPACtert-butyl 9H-fluoren-9-ylmethyl carbonate
SMILESCC(C)(C)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O3/c1-19(2,3)22-18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3
InChIKeyNTVRZRMENDVMTA-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.75
Rot. Bonds2

About tert-butyl 9H-fluoren-9-ylmethyl carbonate

tert-butyl 9H-fluoren-9-ylmethyl carbonate (PubChem CID 15338374) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Nametert-butyl 9H-fluoren-9-ylmethyl carbonate
PubChem CID15338374
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nametert-butyl 9H-fluoren-9-ylmethyl carbonate
SMILESCC(C)(C)OC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O3/c1-19(2,3)22-18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3
InChIKeyNTVRZRMENDVMTA-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 9H-fluoren-9-ylmethyl carbonate 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 tert-butyl 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of tert-butyl 9H-fluoren-9-ylmethyl carbonate (CID 15338374) is tert-butyl 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for tert-butyl 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for tert-butyl 9H-fluoren-9-ylmethyl carbonate is CC(C)(C)OC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is NTVRZRMENDVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(2,3)22-18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3.
What are the key properties of tert-butyl 9H-fluoren-9-ylmethyl carbonate?
tert-butyl 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 296.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 15338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).