formic acid;2-propylpentanoic acid

C9H18O4 — CID 87531584

IUPACformic acid;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.O=CO
InChIInChI=1S/C8H16O2.CH2O2/c1-3-5-7(6-4-2)8(9)10;2-1-3/h7H,3-6H2,1-2H3,(H,9,10);1H,(H,2,3)
InChIKeySBPDOWIAWKCWPV-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.99
Rot. Bonds5

About formic acid;2-propylpentanoic acid

formic acid;2-propylpentanoic acid (PubChem CID 87531584) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is formic acid;2-propylpentanoic acid.

Molecular Properties

Compound Nameformic acid;2-propylpentanoic acid
PubChem CID87531584
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameformic acid;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.O=CO
InChIInChI=1S/C8H16O2.CH2O2/c1-3-5-7(6-4-2)8(9)10;2-1-3/h7H,3-6H2,1-2H3,(H,9,10);1H,(H,2,3)
InChIKeySBPDOWIAWKCWPV-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-propylhexadecanoic acid
CID 10040360
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylheptadecanoic acid
CID 22251985
2-propylpentanoic acid;2-propylpent-2-enoic acid
CID 161489381
(2S)-2-propylbutanedioic acid
CID 12648185
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
CID 15940218

Frequently Asked Questions

What is the IUPAC name of formic acid;2-propylpentanoic acid?
The IUPAC name of formic acid;2-propylpentanoic acid (CID 87531584) is formic acid;2-propylpentanoic acid.
What is the SMILES notation for formic acid;2-propylpentanoic acid?
The canonical SMILES for formic acid;2-propylpentanoic acid is CCCC(CCC)C(=O)O.O=CO.
What is the InChIKey of formic acid;2-propylpentanoic acid?
The InChIKey is SBPDOWIAWKCWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.CH2O2/c1-3-5-7(6-4-2)8(9)10;2-1-3/h7H,3-6H2,1-2H3,(H,9,10);1H,(H,2,3).
What are the key properties of formic acid;2-propylpentanoic acid?
formic acid;2-propylpentanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-propylpentanoic acid is sourced from PubChem (CID 87531584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).