calcium;3-cyclopentylpropanoic acid;hydride

C8H16CaO2 — CID 173013179

IUPACcalcium;3-cyclopentylpropanoic acid;hydride
SMILESO=C(O)CCC1CCCC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H14O2.Ca.2H/c9-8(10)6-5-7-3-1-2-4-7;;;/h7H,1-6H2,(H,9,10);;;/q;+2;2*-1
InChIKeyNIXAZAGLFIAEIZ-UHFFFAOYSA-N
MW184.29 g/mol
LogP1.89
Rot. Bonds3

About calcium;3-cyclopentylpropanoic acid;hydride

calcium;3-cyclopentylpropanoic acid;hydride (PubChem CID 173013179) has the molecular formula C8H16CaO2 and a molecular weight of 184.29 g/mol. Its IUPAC name is calcium;3-cyclopentylpropanoic acid;hydride.

Molecular Properties

Compound Namecalcium;3-cyclopentylpropanoic acid;hydride
PubChem CID173013179
Molecular FormulaC8H16CaO2
Molecular Weight184.29 g/mol
Exact Mass184.08
IUPAC Namecalcium;3-cyclopentylpropanoic acid;hydride
SMILESO=C(O)CCC1CCCC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H14O2.Ca.2H/c9-8(10)6-5-7-3-1-2-4-7;;;/h7H,1-6H2,(H,9,10);;;/q;+2;2*-1
InChIKeyNIXAZAGLFIAEIZ-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
3-(thian-4-yl)propanoic acid
CID 82411342

Frequently Asked Questions

What is the IUPAC name of calcium;3-cyclopentylpropanoic acid;hydride?
The IUPAC name of calcium;3-cyclopentylpropanoic acid;hydride (CID 173013179) is calcium;3-cyclopentylpropanoic acid;hydride.
What is the SMILES notation for calcium;3-cyclopentylpropanoic acid;hydride?
The canonical SMILES for calcium;3-cyclopentylpropanoic acid;hydride is O=C(O)CCC1CCCC1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;3-cyclopentylpropanoic acid;hydride?
The InChIKey is NIXAZAGLFIAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.Ca.2H/c9-8(10)6-5-7-3-1-2-4-7;;;/h7H,1-6H2,(H,9,10);;;/q;+2;2*-1.
What are the key properties of calcium;3-cyclopentylpropanoic acid;hydride?
calcium;3-cyclopentylpropanoic acid;hydride has a molecular weight of 184.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;3-cyclopentylpropanoic acid;hydride is sourced from PubChem (CID 173013179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).