formic acid;propan-1-ol

C4H10O3 — CID 87192907

IUPACformic acid;propan-1-ol
SMILESCCCO.O=CO
InChIInChI=1S/C3H8O.CH2O2/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;1H,(H,2,3)
InChIKeyXNTWGGFOIJENPU-UHFFFAOYSA-N
MW106.12 g/mol
LogP0.09
Rot. Bonds1

About formic acid;propan-1-ol

formic acid;propan-1-ol (PubChem CID 87192907) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is formic acid;propan-1-ol.

Molecular Properties

Compound Nameformic acid;propan-1-ol
PubChem CID87192907
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Nameformic acid;propan-1-ol
SMILESCCCO.O=CO
InChIInChI=1S/C3H8O.CH2O2/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;1H,(H,2,3)
InChIKeyXNTWGGFOIJENPU-UHFFFAOYSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.09
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

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propan-1-ol;hydroiodide
CID 126649388
phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
propan-1-ol;sulfanide
CID 19710776
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
carbonic acid;propan-1-ol
CID 87687313
ethane-1,2-diol;pentanal
CID 87390280

Frequently Asked Questions

What is the IUPAC name of formic acid;propan-1-ol?
The IUPAC name of formic acid;propan-1-ol (CID 87192907) is formic acid;propan-1-ol.
What is the SMILES notation for formic acid;propan-1-ol?
The canonical SMILES for formic acid;propan-1-ol is CCCO.O=CO.
What is the InChIKey of formic acid;propan-1-ol?
The InChIKey is XNTWGGFOIJENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH2O2/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;propan-1-ol?
formic acid;propan-1-ol has a molecular weight of 106.12 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;propan-1-ol is sourced from PubChem (CID 87192907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).