cesium 2,7-dimethyl-9H-fluorene-9-carboxylate

C16H13CsO2 — CID 140605851

IUPACcesium 2,7-dimethyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Cs+]
InChIInChI=1S/C16H14O2.Cs/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyISDRTTPSPBSBEM-UHFFFAOYSA-M
MW370.18 g/mol
LogP-0.83
Rot. Bonds1

About cesium 2,7-dimethyl-9H-fluorene-9-carboxylate

cesium 2,7-dimethyl-9H-fluorene-9-carboxylate (PubChem CID 140605851) has the molecular formula C16H13CsO2 and a molecular weight of 370.18 g/mol. Its IUPAC name is cesium 2,7-dimethyl-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namecesium 2,7-dimethyl-9H-fluorene-9-carboxylate
PubChem CID140605851
Molecular FormulaC16H13CsO2
Molecular Weight370.18 g/mol
Exact Mass370.00
IUPAC Namecesium 2,7-dimethyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Cs+]
InChIInChI=1S/C16H14O2.Cs/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyISDRTTPSPBSBEM-UHFFFAOYSA-M
XLogP-0.83
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-9H-fluorene-9-carboxylate
CID 139254055
2-(3-butyl-6-methyl-1H-inden-1-yl)acetate
CID 102415425
9-ethenyl-2,7-dimethyl-9H-fluorene
CID 22619298
sodium 2-methyl-6H-benzo[c]thiochromene-6-carboxylate
CID 70455866
(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 92981910
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
CID 145053963
2-[6-methyl-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]acetate
CID 22025487
2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
N-(4-methoxyphenyl)sulfonyl-2-methyl-N-phenyl-9H-fluorene-9-carboxamide
CID 102366727
dipotassium;4-methylphthalate
CID 140576906
3,5-dimethyl-2-methylidene-3H-inden-1-one
CID 130031161

Frequently Asked Questions

What is the IUPAC name of cesium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The IUPAC name of cesium 2,7-dimethyl-9H-fluorene-9-carboxylate (CID 140605851) is cesium 2,7-dimethyl-9H-fluorene-9-carboxylate.
What is the SMILES notation for cesium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The canonical SMILES for cesium 2,7-dimethyl-9H-fluorene-9-carboxylate is Cc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Cs+].
What is the InChIKey of cesium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The InChIKey is ISDRTTPSPBSBEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14O2.Cs/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1.
What are the key properties of cesium 2,7-dimethyl-9H-fluorene-9-carboxylate?
cesium 2,7-dimethyl-9H-fluorene-9-carboxylate has a molecular weight of 370.18 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2,7-dimethyl-9H-fluorene-9-carboxylate is sourced from PubChem (CID 140605851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).