oxalic acid;pentane

C7H14O4 — CID 158926498

IUPACoxalic acid;pentane
SMILESCCCCC.O=C(O)C(=O)O
InChIInChI=1S/C5H12.C2H2O4/c1-3-5-4-2;3-1(4)2(5)6/h3-5H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyJIMWFINOAXGDFB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.35
Rot. Bonds2

About oxalic acid;pentane

oxalic acid;pentane (PubChem CID 158926498) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is oxalic acid;pentane.

Molecular Properties

Compound Nameoxalic acid;pentane
PubChem CID158926498
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Nameoxalic acid;pentane
SMILESCCCCC.O=C(O)C(=O)O
InChIInChI=1S/C5H12.C2H2O4/c1-3-5-4-2;3-1(4)2(5)6/h3-5H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyJIMWFINOAXGDFB-UHFFFAOYSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

icosane;oxalic acid
CID 175691290
carbonic acid;bis(hexane)
CID 173367789
butanoic acid;pentane
CID 87072992
acetic acid;dichloromethane;pentane
CID 87119243
ethanol;oxalic acid
CID 172820699
acetic acid;decane
CID 172853582
oxalic acid;bis(propan-1-amine)
CID 173398819
acetic acid;nonane
CID 174272180
pentane;2,2,2-trifluoroacetic acid
CID 161039566
bis(hexan-2-amine);oxalic acid
CID 175216358
copper;2-oxohexanoic acid
CID 88811226
2-methylprop-2-enoic acid;octacosane
CID 158715869

Frequently Asked Questions

What is the IUPAC name of oxalic acid;pentane?
The IUPAC name of oxalic acid;pentane (CID 158926498) is oxalic acid;pentane.
What is the SMILES notation for oxalic acid;pentane?
The canonical SMILES for oxalic acid;pentane is CCCCC.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;pentane?
The InChIKey is JIMWFINOAXGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H2O4/c1-3-5-4-2;3-1(4)2(5)6/h3-5H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pentane?
oxalic acid;pentane has a molecular weight of 162.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pentane is sourced from PubChem (CID 158926498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).