carbanide;1-methanidyloxypropane;yttrium

C5H12OY-2 — CID 59190068

IUPACcarbanide;1-methanidyloxypropane;yttrium
SMILES[CH2-]OCCC.[CH3-].[Y]
InChIInChI=1S/C4H9O.CH3.Y/c1-3-4-5-2;;/h2-4H2,1H3;1H3;/q2*-1;
InChIKeyJCTCGHZXTIPEKG-UHFFFAOYSA-N
MW177.06 g/mol
LogP1.65
Rot. Bonds2

About carbanide;1-methanidyloxypropane;yttrium

carbanide;1-methanidyloxypropane;yttrium (PubChem CID 59190068) has the molecular formula C5H12OY-2 and a molecular weight of 177.06 g/mol. Its IUPAC name is carbanide;1-methanidyloxypropane;yttrium.

Molecular Properties

Compound Namecarbanide;1-methanidyloxypropane;yttrium
PubChem CID59190068
Molecular FormulaC5H12OY-2
Molecular Weight177.06 g/mol
Exact Mass177.00
IUPAC Namecarbanide;1-methanidyloxypropane;yttrium
SMILES[CH2-]OCCC.[CH3-].[Y]
InChIInChI=1S/C4H9O.CH3.Y/c1-3-4-5-2;;/h2-4H2,1H3;1H3;/q2*-1;
InChIKeyJCTCGHZXTIPEKG-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-methanidyloxypropane;yttrium?
The IUPAC name of carbanide;1-methanidyloxypropane;yttrium (CID 59190068) is carbanide;1-methanidyloxypropane;yttrium.
What is the SMILES notation for carbanide;1-methanidyloxypropane;yttrium?
The canonical SMILES for carbanide;1-methanidyloxypropane;yttrium is [CH2-]OCCC.[CH3-].[Y].
What is the InChIKey of carbanide;1-methanidyloxypropane;yttrium?
The InChIKey is JCTCGHZXTIPEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.CH3.Y/c1-3-4-5-2;;/h2-4H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-methanidyloxypropane;yttrium?
carbanide;1-methanidyloxypropane;yttrium has a molecular weight of 177.06 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-methanidyloxypropane;yttrium is sourced from PubChem (CID 59190068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).