3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)

C16H31Y3-3 — CID 58697885

IUPAC3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)
SMILES[CH2-]CC(C)CC(CC(C)C[CH2-])CC(C)C[CH2-].[Y].[Y].[Y]
InChIInChI=1S/C16H31.3Y/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3;;;/h13-16H,1-3,7-12H2,4-6H3;;;/q-3;;;
InChIKeyHTUHPMGRBVYBQY-UHFFFAOYSA-N
MW490.14 g/mol
LogP5.35
Rot. Bonds9

About 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)

3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium) (PubChem CID 58697885) has the molecular formula C16H31Y3-3 and a molecular weight of 490.14 g/mol. Its IUPAC name is 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium).

Molecular Properties

Compound Name3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)
PubChem CID58697885
Molecular FormulaC16H31Y3-3
Molecular Weight490.14 g/mol
Exact Mass489.96
IUPAC Name3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)
SMILES[CH2-]CC(C)CC(CC(C)C[CH2-])CC(C)C[CH2-].[Y].[Y].[Y]
InChIInChI=1S/C16H31.3Y/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3;;;/h13-16H,1-3,7-12H2,4-6H3;;;/q-3;;;
InChIKeyHTUHPMGRBVYBQY-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.14
LogP ≤ 55.35
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

4-ethyl-2-methylhexane;yttrium
CID 58009185
bis(2-methylbutane);yttrium
CID 140616958
3-methylpentane;zinc
CID 154150944
2,5-dimethylheptane
CID 90756934
2-methylbutane;2-methylpropane;yttrium
CID 58618972
lithium 2,2,4-trimethylhexane
CID 19358976
(5S)-3-ethyl-5-methylheptane
CID 59094044
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
2,4-dimethylpentane
CID 157050020
2,4-dimethyl-6-propylnonane
CID 57492214
curium;3-methylheptane
CID 59030306
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)?
The IUPAC name of 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium) (CID 58697885) is 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium).
What is the SMILES notation for 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)?
The canonical SMILES for 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium) is [CH2-]CC(C)CC(CC(C)C[CH2-])CC(C)C[CH2-].[Y].[Y].[Y].
What is the InChIKey of 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)?
The InChIKey is HTUHPMGRBVYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31.3Y/c1-7-13(4)10-16(11-14(5)8-2)12-15(6)9-3;;;/h13-16H,1-3,7-12H2,4-6H3;;;/q-3;;;.
What are the key properties of 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium)?
3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium) has a molecular weight of 490.14 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-(2-methylbutyl)nonane;tris(yttrium) is sourced from PubChem (CID 58697885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).