4-ethyl-2-methylhexane;yttrium

C9H18Y-2 — CID 58009185

IUPAC4-ethyl-2-methylhexane;yttrium
SMILES[CH2-]CC(C[CH2-])CC(C)C.[Y]
InChIInChI=1S/C9H18.Y/c1-5-9(6-2)7-8(3)4;/h8-9H,1-2,5-7H2,3-4H3;/q-2;
InChIKeyZQMZIGQKGGNTOV-UHFFFAOYSA-N
MW215.15 g/mol
LogP3.09
Rot. Bonds4

About 4-ethyl-2-methylhexane;yttrium

4-ethyl-2-methylhexane;yttrium (PubChem CID 58009185) has the molecular formula C9H18Y-2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 4-ethyl-2-methylhexane;yttrium.

Molecular Properties

Compound Name4-ethyl-2-methylhexane;yttrium
PubChem CID58009185
Molecular FormulaC9H18Y-2
Molecular Weight215.15 g/mol
Exact Mass215.05
IUPAC Name4-ethyl-2-methylhexane;yttrium
SMILES[CH2-]CC(C[CH2-])CC(C)C.[Y]
InChIInChI=1S/C9H18.Y/c1-5-9(6-2)7-8(3)4;/h8-9H,1-2,5-7H2,3-4H3;/q-2;
InChIKeyZQMZIGQKGGNTOV-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylbutane);yttrium
CID 140616958
3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)
CID 58697885
2-methylbutane;2-methylpropane;yttrium
CID 58618972
2,4-dimethylpentane
CID 157050020
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
2,4-dimethylpentane;methane
CID 159476318
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
2-[6-methyl-2-[4-methyl-2-(2-methylpropyl)pentyl]-4-(2-methylpropyl)heptyl]propane-1,3-diamine
CID 176735461
acetylene;2,4-dimethylpentane
CID 167651238
4-ethyl-2,7-dimethyloctane
CID 53423923
2,8-dimethyl-4,6-bis(2-methylpropyl)nonane;isocyanic acid
CID 88746453
actinium;2-ethylpropane-1,3-diol;yttrium
CID 59047614

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylhexane;yttrium?
The IUPAC name of 4-ethyl-2-methylhexane;yttrium (CID 58009185) is 4-ethyl-2-methylhexane;yttrium.
What is the SMILES notation for 4-ethyl-2-methylhexane;yttrium?
The canonical SMILES for 4-ethyl-2-methylhexane;yttrium is [CH2-]CC(C[CH2-])CC(C)C.[Y].
What is the InChIKey of 4-ethyl-2-methylhexane;yttrium?
The InChIKey is ZQMZIGQKGGNTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.Y/c1-5-9(6-2)7-8(3)4;/h8-9H,1-2,5-7H2,3-4H3;/q-2;.
What are the key properties of 4-ethyl-2-methylhexane;yttrium?
4-ethyl-2-methylhexane;yttrium has a molecular weight of 215.15 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylhexane;yttrium is sourced from PubChem (CID 58009185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).