9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate

C30H22O5 — CID 90963372

IUPAC9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
SMILESO=C(O)OC(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H22O5/c31-29(34-17-26-22-13-3-1-9-18(22)19-10-2-4-14-23(19)26)28(35-30(32)33)27-24-15-7-5-11-20(24)21-12-6-8-16-25(21)27/h1-16,26-28H,17H2,(H,32,33)
InChIKeyVDMSMDCYNAZNOP-UHFFFAOYSA-N
MW462.50 g/mol
LogP6.22
Rot. Bonds5

About 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate

9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate (PubChem CID 90963372) has the molecular formula C30H22O5 and a molecular weight of 462.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
PubChem CID90963372
Molecular FormulaC30H22O5
Molecular Weight462.50 g/mol
Exact Mass462.15
IUPAC Name9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
SMILESO=C(O)OC(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H22O5/c31-29(34-17-26-22-13-3-1-9-18(22)19-10-2-4-14-23(19)26)28(35-30(32)33)27-24-15-7-5-11-20(24)21-12-6-8-16-25(21)27/h1-16,26-28H,17H2,(H,32,33)
InChIKeyVDMSMDCYNAZNOP-UHFFFAOYSA-N
XLogP6.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
(2R)-2-[amino(phenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57371029
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate (CID 90963372) is 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate is O=C(O)OC(C(=O)OCC1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate?
The InChIKey is VDMSMDCYNAZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O5/c31-29(34-17-26-22-13-3-1-9-18(22)19-10-2-4-14-23(19)26)28(35-30(32)33)27-24-15-7-5-11-20(24)21-12-6-8-16-25(21)27/h1-16,26-28H,17H2,(H,32,33).
What are the key properties of 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate?
9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate has a molecular weight of 462.50 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate is sourced from PubChem (CID 90963372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).