2,4-dimethylhexan-1-one;yttrium

C8H15OY- — CID 58435599

IUPAC2,4-dimethylhexan-1-one;yttrium
SMILESCCC(C)CC(C)[C-]=O.[Y]
InChIInChI=1S/C8H15O.Y/c1-4-7(2)5-8(3)6-9;/h7-8H,4-5H2,1-3H3;/q-1;
InChIKeyKFUZHRKCYZJYSC-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.17
Rot. Bonds4

About 2,4-dimethylhexan-1-one;yttrium

2,4-dimethylhexan-1-one;yttrium (PubChem CID 58435599) has the molecular formula C8H15OY- and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,4-dimethylhexan-1-one;yttrium.

Molecular Properties

Compound Name2,4-dimethylhexan-1-one;yttrium
PubChem CID58435599
Molecular FormulaC8H15OY-
Molecular Weight216.11 g/mol
Exact Mass216.02
IUPAC Name2,4-dimethylhexan-1-one;yttrium
SMILESCCC(C)CC(C)[C-]=O.[Y]
InChIInChI=1S/C8H15O.Y/c1-4-7(2)5-8(3)6-9;/h7-8H,4-5H2,1-3H3;/q-1;
InChIKeyKFUZHRKCYZJYSC-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.17
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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Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
(4S)-2,4-dimethylhexane
CID 22810193
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(2S)-4-methylhexan-2-amine
CID 141201507
2,4,6,8-tetramethyldecane
CID 54224604
4-methylhexane-2-thiol
CID 118408807
3,5,7,10,12-pentamethyltetradecane
CID 59582352
1-fluoro-2,4-dimethylhexane
CID 123953899
[(2R,4S)-4-methylhexan-2-yl]azanium
CID 36688718

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexan-1-one;yttrium?
The IUPAC name of 2,4-dimethylhexan-1-one;yttrium (CID 58435599) is 2,4-dimethylhexan-1-one;yttrium.
What is the SMILES notation for 2,4-dimethylhexan-1-one;yttrium?
The canonical SMILES for 2,4-dimethylhexan-1-one;yttrium is CCC(C)CC(C)[C-]=O.[Y].
What is the InChIKey of 2,4-dimethylhexan-1-one;yttrium?
The InChIKey is KFUZHRKCYZJYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O.Y/c1-4-7(2)5-8(3)6-9;/h7-8H,4-5H2,1-3H3;/q-1;.
What are the key properties of 2,4-dimethylhexan-1-one;yttrium?
2,4-dimethylhexan-1-one;yttrium has a molecular weight of 216.11 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexan-1-one;yttrium is sourced from PubChem (CID 58435599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).