3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)

C14H21Y+2 — CID 20642617

IUPAC3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
SMILESC[C-](C)C(C)(C)C(C)c1ccccc1.[Y+3]
InChIInChI=1S/C14H21.Y/c1-11(2)14(4,5)12(3)13-9-7-6-8-10-13;/h6-10,12H,1-5H3;/q-1;+3
InChIKeyYMPWRSIPAHGUCT-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.43
Rot. Bonds3

About 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)

3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+) (PubChem CID 20642617) has the molecular formula C14H21Y+2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+).

Molecular Properties

Compound Name3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
PubChem CID20642617
Molecular FormulaC14H21Y+2
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
SMILESC[C-](C)C(C)(C)C(C)c1ccccc1.[Y+3]
InChIInChI=1S/C14H21.Y/c1-11(2)14(4,5)12(3)13-9-7-6-8-10-13;/h6-10,12H,1-5H3;/q-1;+3
InChIKeyYMPWRSIPAHGUCT-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.43
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

2-amino-3-phenylbutan-2-ol
CID 68615274
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
cumene;2-methoxy-2-methylpropane
CID 68666509
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
1,1,2-triphenylpropane-1-thiol
CID 174950474
(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
CID 173440563
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
cumene
CID 161227923
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)?
The IUPAC name of 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+) (CID 20642617) is 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+).
What is the SMILES notation for 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)?
The canonical SMILES for 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+) is C[C-](C)C(C)(C)C(C)c1ccccc1.[Y+3].
What is the InChIKey of 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)?
The InChIKey is YMPWRSIPAHGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21.Y/c1-11(2)14(4,5)12(3)13-9-7-6-8-10-13;/h6-10,12H,1-5H3;/q-1;+3.
What are the key properties of 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)?
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+) has a molecular weight of 278.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+) is sourced from PubChem (CID 20642617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).