ethane;9H-fluorene;propanoic acid

C24H40O2 — CID 90836645

IUPACethane;9H-fluorene;propanoic acid
SMILESCC.CC.CC.CC.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H6O2.4C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3(4)5;4*1-2/h1-8H,9H2;2H2,1H3,(H,4,5);4*1-2H3
InChIKeyZVFHIDOAPCQBFK-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.84
Rot. Bonds1

About ethane;9H-fluorene;propanoic acid

ethane;9H-fluorene;propanoic acid (PubChem CID 90836645) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is ethane;9H-fluorene;propanoic acid.

Molecular Properties

Compound Nameethane;9H-fluorene;propanoic acid
PubChem CID90836645
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Nameethane;9H-fluorene;propanoic acid
SMILESCC.CC.CC.CC.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H6O2.4C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3(4)5;4*1-2/h1-8H,9H2;2H2,1H3,(H,4,5);4*1-2H3
InChIKeyZVFHIDOAPCQBFK-UHFFFAOYSA-N
XLogP7.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9H-fluorene;propanoic acid
CID 67831567
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ethanamine;9H-fluorene
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bis(9H-fluorene);pentane
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9H-fluorene;methyl acetate
CID 143080534
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of ethane;9H-fluorene;propanoic acid?
The IUPAC name of ethane;9H-fluorene;propanoic acid (CID 90836645) is ethane;9H-fluorene;propanoic acid.
What is the SMILES notation for ethane;9H-fluorene;propanoic acid?
The canonical SMILES for ethane;9H-fluorene;propanoic acid is CC.CC.CC.CC.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;9H-fluorene;propanoic acid?
The InChIKey is ZVFHIDOAPCQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C3H6O2.4C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3(4)5;4*1-2/h1-8H,9H2;2H2,1H3,(H,4,5);4*1-2H3.
What are the key properties of ethane;9H-fluorene;propanoic acid?
ethane;9H-fluorene;propanoic acid has a molecular weight of 360.58 g/mol, XLogP of 7.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9H-fluorene;propanoic acid is sourced from PubChem (CID 90836645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).