carbanide;hexane-2,4-diol;yttrium

C7H17O2Y- — CID 59749638

IUPACcarbanide;hexane-2,4-diol;yttrium
SMILESCCC(O)CC(C)O.[CH3-].[Y]
InChIInChI=1S/C6H14O2.CH3.Y/c1-3-6(8)4-5(2)7;;/h5-8H,3-4H2,1-2H3;1H3;/q;-1;
InChIKeyUHSDZFNNEKYQLF-UHFFFAOYSA-N
MW222.12 g/mol
LogP0.98
Rot. Bonds3

About carbanide;hexane-2,4-diol;yttrium

carbanide;hexane-2,4-diol;yttrium (PubChem CID 59749638) has the molecular formula C7H17O2Y- and a molecular weight of 222.12 g/mol. Its IUPAC name is carbanide;hexane-2,4-diol;yttrium.

Molecular Properties

Compound Namecarbanide;hexane-2,4-diol;yttrium
PubChem CID59749638
Molecular FormulaC7H17O2Y-
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Namecarbanide;hexane-2,4-diol;yttrium
SMILESCCC(O)CC(C)O.[CH3-].[Y]
InChIInChI=1S/C6H14O2.CH3.Y/c1-3-6(8)4-5(2)7;;/h5-8H,3-4H2,1-2H3;1H3;/q;-1;
InChIKeyUHSDZFNNEKYQLF-UHFFFAOYSA-N
XLogP0.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-heptane-3,5-diol
CID 12641368
hexane-2,3-diol;hexane-2,4-diol
CID 175419293
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
butan-2-ol;methane;pentan-3-ol
CID 160881005
decane-2,4,7,9-tetrol
CID 87436016
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
heptane-2,4-diol
CID 161420509
hexane-2,4-diol;yttrium
CID 59978331
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
bis(butan-2-ol);carbanide;tantalum
CID 22416357
pentan-3-ol
CID 11428

Frequently Asked Questions

What is the IUPAC name of carbanide;hexane-2,4-diol;yttrium?
The IUPAC name of carbanide;hexane-2,4-diol;yttrium (CID 59749638) is carbanide;hexane-2,4-diol;yttrium.
What is the SMILES notation for carbanide;hexane-2,4-diol;yttrium?
The canonical SMILES for carbanide;hexane-2,4-diol;yttrium is CCC(O)CC(C)O.[CH3-].[Y].
What is the InChIKey of carbanide;hexane-2,4-diol;yttrium?
The InChIKey is UHSDZFNNEKYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.CH3.Y/c1-3-6(8)4-5(2)7;;/h5-8H,3-4H2,1-2H3;1H3;/q;-1;.
What are the key properties of carbanide;hexane-2,4-diol;yttrium?
carbanide;hexane-2,4-diol;yttrium has a molecular weight of 222.12 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hexane-2,4-diol;yttrium is sourced from PubChem (CID 59749638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).