acetic acid;pentakis(guanidine)

C7H29N15O2 — CID 174792068

IUPACacetic acid;pentakis(guanidine)
SMILESCC(=O)O.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/C2H4O2.5CH5N3/c1-2(3)4;5*2-1(3)4/h1H3,(H,3,4);5*(H5,2,3,4)
InChIKeyUYIHHMXICVFBED-UHFFFAOYSA-N
MW355.41 g/mol
LogP-5.72
Rot. Bonds

About acetic acid;pentakis(guanidine)

acetic acid;pentakis(guanidine) (PubChem CID 174792068) has the molecular formula C7H29N15O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is acetic acid;pentakis(guanidine).

Molecular Properties

Compound Nameacetic acid;pentakis(guanidine)
PubChem CID174792068
Molecular FormulaC7H29N15O2
Molecular Weight355.41 g/mol
Exact Mass355.26
IUPAC Nameacetic acid;pentakis(guanidine)
SMILESCC(=O)O.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/C2H4O2.5CH5N3/c1-2(3)4;5*2-1(3)4/h1H3,(H,3,4);5*(H5,2,3,4)
InChIKeyUYIHHMXICVFBED-UHFFFAOYSA-N
XLogP-5.72
TPSA416.75 Ų
H-Bond Donors16
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.41
LogP ≤ 5-5.72
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;guanidine;lanthanum
CID 162180739
acetic acid;guanidine;1-phosphorosoethane
CID 174889925
acetic acid;dodecane;guanidine;phosphane
CID 175312281
acetic acid;carbamic acid;silane
CID 174514013
guanidine;oxalic acid
CID 18421375
acetic acid;methanediamine
CID 162329452
disodium;guanidine;diacetate
CID 172858856
acetic acid
CID 158444727
acetic acid;guanidine;toluene
CID 160673337
acetamide;acetic acid;ethanamine;propane
CID 160501368
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012

Frequently Asked Questions

What is the IUPAC name of acetic acid;pentakis(guanidine)?
The IUPAC name of acetic acid;pentakis(guanidine) (CID 174792068) is acetic acid;pentakis(guanidine).
What is the SMILES notation for acetic acid;pentakis(guanidine)?
The canonical SMILES for acetic acid;pentakis(guanidine) is CC(=O)O.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of acetic acid;pentakis(guanidine)?
The InChIKey is UYIHHMXICVFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.5CH5N3/c1-2(3)4;5*2-1(3)4/h1H3,(H,3,4);5*(H5,2,3,4).
What are the key properties of acetic acid;pentakis(guanidine)?
acetic acid;pentakis(guanidine) has a molecular weight of 355.41 g/mol, XLogP of -5.72, 0 rotatable bonds, 16 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pentakis(guanidine) is sourced from PubChem (CID 174792068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).