cyclohexane;ethane;propanoic acid

C11H24O2 — CID 143012181

IUPACcyclohexane;ethane;propanoic acid
SMILESC1CCCCC1.CC.CCC(=O)O
InChIInChI=1S/C6H12.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-6H2;2H2,1H3,(H,4,5);1-2H3
InChIKeyKBOYSJMHCDLEAD-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.85
Rot. Bonds1

About cyclohexane;ethane;propanoic acid

cyclohexane;ethane;propanoic acid (PubChem CID 143012181) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclohexane;ethane;propanoic acid.

Molecular Properties

Compound Namecyclohexane;ethane;propanoic acid
PubChem CID143012181
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namecyclohexane;ethane;propanoic acid
SMILESC1CCCCC1.CC.CCC(=O)O
InChIInChI=1S/C6H12.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-6H2;2H2,1H3,(H,4,5);1-2H3
InChIKeyKBOYSJMHCDLEAD-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;propanoic acid?
The IUPAC name of cyclohexane;ethane;propanoic acid (CID 143012181) is cyclohexane;ethane;propanoic acid.
What is the SMILES notation for cyclohexane;ethane;propanoic acid?
The canonical SMILES for cyclohexane;ethane;propanoic acid is C1CCCCC1.CC.CCC(=O)O.
What is the InChIKey of cyclohexane;ethane;propanoic acid?
The InChIKey is KBOYSJMHCDLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-6H2;2H2,1H3,(H,4,5);1-2H3.
What are the key properties of cyclohexane;ethane;propanoic acid?
cyclohexane;ethane;propanoic acid has a molecular weight of 188.31 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;propanoic acid is sourced from PubChem (CID 143012181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).