ethane;2-ethylbutanoic acid

C8H18O2 — CID 142229949

IUPACethane;2-ethylbutanoic acid
SMILESCC.CCC(CC)C(=O)O
InChIInChI=1S/C6H12O2.C2H6/c1-3-5(4-2)6(7)8;1-2/h5H,3-4H2,1-2H3,(H,7,8);1-2H3
InChIKeyVSHGCBUQFRFRNK-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.53
Rot. Bonds3

About ethane;2-ethylbutanoic acid

ethane;2-ethylbutanoic acid (PubChem CID 142229949) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;2-ethylbutanoic acid.

Molecular Properties

Compound Nameethane;2-ethylbutanoic acid
PubChem CID142229949
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethane;2-ethylbutanoic acid
SMILESCC.CCC(CC)C(=O)O
InChIInChI=1S/C6H12O2.C2H6/c1-3-5(4-2)6(7)8;1-2/h5H,3-4H2,1-2H3,(H,7,8);1-2H3
InChIKeyVSHGCBUQFRFRNK-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 87086045
CID 87086045
CID 123134376
CID 123134376
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
(2S)-2-ethylbutanedioic acid
CID 6997245
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethylhexanoic acid;palladium(2+)
CID 18629949
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylbutanoic acid?
The IUPAC name of ethane;2-ethylbutanoic acid (CID 142229949) is ethane;2-ethylbutanoic acid.
What is the SMILES notation for ethane;2-ethylbutanoic acid?
The canonical SMILES for ethane;2-ethylbutanoic acid is CC.CCC(CC)C(=O)O.
What is the InChIKey of ethane;2-ethylbutanoic acid?
The InChIKey is VSHGCBUQFRFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6/c1-3-5(4-2)6(7)8;1-2/h5H,3-4H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-ethylbutanoic acid?
ethane;2-ethylbutanoic acid has a molecular weight of 146.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylbutanoic acid is sourced from PubChem (CID 142229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).