acetic acid;guanidine;1,1,2-trimethylsilinane

C11H27N3O2Si — CID 174690834

IUPACacetic acid;guanidine;1,1,2-trimethylsilinane
SMILESCC(=O)O.CC1CCCC[Si]1(C)C.[H]N=C(N)N
InChIInChI=1S/C8H18Si.C2H4O2.CH5N3/c1-8-6-4-5-7-9(8,2)3;1-2(3)4;2-1(3)4/h8H,4-7H2,1-3H3;1H3,(H,3,4);(H5,2,3,4)
InChIKeyOIKCKNSNJMSUCU-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.20
Rot. Bonds

About acetic acid;guanidine;1,1,2-trimethylsilinane

acetic acid;guanidine;1,1,2-trimethylsilinane (PubChem CID 174690834) has the molecular formula C11H27N3O2Si and a molecular weight of 261.44 g/mol. Its IUPAC name is acetic acid;guanidine;1,1,2-trimethylsilinane.

Molecular Properties

Compound Nameacetic acid;guanidine;1,1,2-trimethylsilinane
PubChem CID174690834
Molecular FormulaC11H27N3O2Si
Molecular Weight261.44 g/mol
Exact Mass261.19
IUPAC Nameacetic acid;guanidine;1,1,2-trimethylsilinane
SMILESCC(=O)O.CC1CCCC[Si]1(C)C.[H]N=C(N)N
InChIInChI=1S/C8H18Si.C2H4O2.CH5N3/c1-8-6-4-5-7-9(8,2)3;1-2(3)4;2-1(3)4/h8H,4-7H2,1-3H3;1H3,(H,3,4);(H5,2,3,4)
InChIKeyOIKCKNSNJMSUCU-UHFFFAOYSA-N
XLogP2.20
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(1,1,2-trimethylsilinane)
CID 174956431
N-prop-2-enylacetamide;1,1,2-trimethylsilinane
CID 174520229
acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;guanidine;lanthanum
CID 162180739
2-fluoro-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1,1,2-trimethylsilinane
CID 174694788
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
acetic acid;guanidine;1-phosphorosoethane
CID 174889925
acetic acid;cyclohexylcyclohexane
CID 67293698

Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;1,1,2-trimethylsilinane?
The IUPAC name of acetic acid;guanidine;1,1,2-trimethylsilinane (CID 174690834) is acetic acid;guanidine;1,1,2-trimethylsilinane.
What is the SMILES notation for acetic acid;guanidine;1,1,2-trimethylsilinane?
The canonical SMILES for acetic acid;guanidine;1,1,2-trimethylsilinane is CC(=O)O.CC1CCCC[Si]1(C)C.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;1,1,2-trimethylsilinane?
The InChIKey is OIKCKNSNJMSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Si.C2H4O2.CH5N3/c1-8-6-4-5-7-9(8,2)3;1-2(3)4;2-1(3)4/h8H,4-7H2,1-3H3;1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;1,1,2-trimethylsilinane?
acetic acid;guanidine;1,1,2-trimethylsilinane has a molecular weight of 261.44 g/mol, XLogP of 2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;1,1,2-trimethylsilinane is sourced from PubChem (CID 174690834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).