carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)

C7H16OY2-2 — CID 171424214

IUPACcarbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)
SMILES[CH2-][C@H](C)CCCO.[CH3-].[Y].[Y]
InChIInChI=1S/C6H13O.CH3.2Y/c1-6(2)4-3-5-7;;;/h6-7H,1,3-5H2,2H3;1H3;;/q2*-1;;/t6-;;;/m1.../s1
InChIKeyBAZGHQOJBJLCJY-VMESQJNGSA-N
MW294.02 g/mol
LogP1.67
Rot. Bonds3

About carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)

carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) (PubChem CID 171424214) has the molecular formula C7H16OY2-2 and a molecular weight of 294.02 g/mol. Its IUPAC name is carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium).

Molecular Properties

Compound Namecarbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)
PubChem CID171424214
Molecular FormulaC7H16OY2-2
Molecular Weight294.02 g/mol
Exact Mass293.93
IUPAC Namecarbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)
SMILES[CH2-][C@H](C)CCCO.[CH3-].[Y].[Y]
InChIInChI=1S/C6H13O.CH3.2Y/c1-6(2)4-3-5-7;;;/h6-7H,1,3-5H2,2H3;1H3;;/q2*-1;;/t6-;;;/m1.../s1
InChIKeyBAZGHQOJBJLCJY-VMESQJNGSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.02
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;(2R)-2-methanidylhexane;yttrium;yttrium(3+)
CID 171424303
4-methylpentan-1-ol;titanium;dihydrate
CID 175523375
4-methyloctan-1-ol;propan-2-ol
CID 18620283
magnesium;2-methanidyl-6-methyloctane;chloride
CID 168763498
4-aminopentan-1-ol;hydrochloride
CID 75212867
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
6-iodo-4-methylhexan-1-ol
CID 139625699
4-butan-2-yloctan-1-ol
CID 57029732
4-(diethylamino)pentan-1-ol
CID 87480053
(4S)-6-methylheptane-1,4-diol
CID 88522325
2,2-bis(hydroxymethyl)-3-methylhexane-1,6-diol
CID 142698354
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505

Frequently Asked Questions

What is the IUPAC name of carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)?
The IUPAC name of carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) (CID 171424214) is carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium).
What is the SMILES notation for carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)?
The canonical SMILES for carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) is [CH2-][C@H](C)CCCO.[CH3-].[Y].[Y].
What is the InChIKey of carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)?
The InChIKey is BAZGHQOJBJLCJY-VMESQJNGSA-N. The full InChI is InChI=1S/C6H13O.CH3.2Y/c1-6(2)4-3-5-7;;;/h6-7H,1,3-5H2,2H3;1H3;;/q2*-1;;/t6-;;;/m1.../s1.
What are the key properties of carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium)?
carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) has a molecular weight of 294.02 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4R)-4-methanidylpentan-1-ol;bis(yttrium) is sourced from PubChem (CID 171424214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).