ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate

C20H22O2 — CID 141437716

IUPACethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-4-22-20(21)18(13(2)3)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-13,18-19H,4H2,1-3H3
InChIKeyGELDDWABQMBBKN-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.63
Rot. Bonds4

About ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate

ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate (PubChem CID 141437716) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
PubChem CID141437716
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-4-22-20(21)18(13(2)3)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-13,18-19H,4H2,1-3H3
InChIKeyGELDDWABQMBBKN-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564
ethyl (2S)-2-(9H-fluoren-9-yl)-2-(N-methoxycarbonylanilino)acetate
CID 54280060
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
1-(9H-fluoren-9-yl)propan-1-amine
CID 79308072
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321
(2R)-2-[[3-ethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropanoyl]amino]-3-methylbutanoic acid
CID 165494965
benzyl 2-(9H-fluoren-9-yl)-4-(methoxycarbonylamino)-3-propan-2-yloxybutanoate
CID 175135443
ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
CID 170021750
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
CID 19385933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate (CID 141437716) is ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate is CCOC(=O)C(C(C)C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate?
The InChIKey is GELDDWABQMBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-22-20(21)18(13(2)3)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-13,18-19H,4H2,1-3H3.
What are the key properties of ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate?
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate has a molecular weight of 294.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate is sourced from PubChem (CID 141437716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).