ethyl acetate;methylbenzene;yttrium

C11H14O2Y-2 — CID 58712975

IUPACethyl acetate;methylbenzene;yttrium
SMILESCc1cc[c-]cc1.[CH2-]C(=O)OCC.[Y]
InChIInChI=1S/C7H7.C4H7O2.Y/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;/h3-6H,1H3;2-3H2,1H3;/q2*-1;
InChIKeyCZMXRJSDSJFSQM-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.18
Rot. Bonds1

About ethyl acetate;methylbenzene;yttrium

ethyl acetate;methylbenzene;yttrium (PubChem CID 58712975) has the molecular formula C11H14O2Y-2 and a molecular weight of 267.14 g/mol. Its IUPAC name is ethyl acetate;methylbenzene;yttrium.

Molecular Properties

Compound Nameethyl acetate;methylbenzene;yttrium
PubChem CID58712975
Molecular FormulaC11H14O2Y-2
Molecular Weight267.14 g/mol
Exact Mass267.01
IUPAC Nameethyl acetate;methylbenzene;yttrium
SMILESCc1cc[c-]cc1.[CH2-]C(=O)OCC.[Y]
InChIInChI=1S/C7H7.C4H7O2.Y/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;/h3-6H,1H3;2-3H2,1H3;/q2*-1;
InChIKeyCZMXRJSDSJFSQM-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methylbenzene;4-methylphenol;yttrium
CID 160854018
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CID 18688117
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
CID 59372723
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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;methylbenzene;yttrium?
The IUPAC name of ethyl acetate;methylbenzene;yttrium (CID 58712975) is ethyl acetate;methylbenzene;yttrium.
What is the SMILES notation for ethyl acetate;methylbenzene;yttrium?
The canonical SMILES for ethyl acetate;methylbenzene;yttrium is Cc1cc[c-]cc1.[CH2-]C(=O)OCC.[Y].
What is the InChIKey of ethyl acetate;methylbenzene;yttrium?
The InChIKey is CZMXRJSDSJFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C4H7O2.Y/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;/h3-6H,1H3;2-3H2,1H3;/q2*-1;.
What are the key properties of ethyl acetate;methylbenzene;yttrium?
ethyl acetate;methylbenzene;yttrium has a molecular weight of 267.14 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;methylbenzene;yttrium is sourced from PubChem (CID 58712975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).