hexane-2,4-diol;yttrium

C6H13O2Y- — CID 59978331

IUPAChexane-2,4-diol;yttrium
SMILES[CH2-]C(O)CC(O)CC.[Y]
InChIInChI=1S/C6H13O2.Y/c1-3-6(8)4-5(2)7;/h5-8H,2-4H2,1H3;/q-1;
InChIKeyPADDMWWNUDYGTQ-UHFFFAOYSA-N
MW206.07 g/mol
LogP0.34
Rot. Bonds3

About hexane-2,4-diol;yttrium

hexane-2,4-diol;yttrium (PubChem CID 59978331) has the molecular formula C6H13O2Y- and a molecular weight of 206.07 g/mol. Its IUPAC name is hexane-2,4-diol;yttrium.

Molecular Properties

Compound Namehexane-2,4-diol;yttrium
PubChem CID59978331
Molecular FormulaC6H13O2Y-
Molecular Weight206.07 g/mol
Exact Mass206.00
IUPAC Namehexane-2,4-diol;yttrium
SMILES[CH2-]C(O)CC(O)CC.[Y]
InChIInChI=1S/C6H13O2.Y/c1-3-6(8)4-5(2)7;/h5-8H,2-4H2,1H3;/q-1;
InChIKeyPADDMWWNUDYGTQ-UHFFFAOYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 50.34
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
butan-2-ol;yttrium
CID 59946185
butan-2-ol
CID 123926829
carbanide;hexane-2,4-diol;yttrium
CID 59749638
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
pentan-3-ol;dihydrochloride
CID 141116397
nonane-3,5-diol;scandium
CID 164810293
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
1-(2,4-dihydroxyhexylsulfanyl)hexane-2,4-diol
CID 139888298
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
1-fluorobutan-2-ol
CID 13278453

Frequently Asked Questions

What is the IUPAC name of hexane-2,4-diol;yttrium?
The IUPAC name of hexane-2,4-diol;yttrium (CID 59978331) is hexane-2,4-diol;yttrium.
What is the SMILES notation for hexane-2,4-diol;yttrium?
The canonical SMILES for hexane-2,4-diol;yttrium is [CH2-]C(O)CC(O)CC.[Y].
What is the InChIKey of hexane-2,4-diol;yttrium?
The InChIKey is PADDMWWNUDYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.Y/c1-3-6(8)4-5(2)7;/h5-8H,2-4H2,1H3;/q-1;.
What are the key properties of hexane-2,4-diol;yttrium?
hexane-2,4-diol;yttrium has a molecular weight of 206.07 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-2,4-diol;yttrium is sourced from PubChem (CID 59978331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).