[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium

C13H19O2Y- — CID 59952655

IUPAC[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
SMILESCOCC(C)(COC)Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;
InChIKeyPTTBWOAXOMUNKE-UHFFFAOYSA-N
MW296.20 g/mol
LogP2.33
Rot. Bonds6

About [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium

[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium (PubChem CID 59952655) has the molecular formula C13H19O2Y- and a molecular weight of 296.20 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
PubChem CID59952655
Molecular FormulaC13H19O2Y-
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
SMILESCOCC(C)(COC)Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;
InChIKeyPTTBWOAXOMUNKE-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 52.33
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

5,5-Bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
CID 102149759
1,1-Bis(ethoxymethyl)-3-(3-methylbut-3-en-2-ylidene)cyclobutane
CID 101542133
4,4-Bis(methoxymethyl)cyclohexene
CID 58930746
9,9-Bis(methoxymethyl)cyclopenta[a]naphthalene
CID 87694154
2-[3-Ethoxy-2-(ethoxymethyl)propyl]-5,6-dimethylcyclohexa-1,3-diene
CID 130215312
5,5-Bis(methoxymethyl)cyclohexa-1,3-diene
CID 140207668
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867259
5,5-Bis(methoxymethyl)-2-methylcyclohexa-1,3-diene
CID 146636355
4,4-Bis(methoxymethyl)cyclohexene;methane
CID 157055954
Methane;[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
CID 158842892
4,4-Bis(ethoxymethyl)cyclohexene
CID 161929784

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium?
The IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium (CID 59952655) is [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium.
What is the SMILES notation for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium?
The canonical SMILES for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium is COCC(C)(COC)Cc1cc[c-]cc1.[Y].
What is the InChIKey of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium?
The InChIKey is PTTBWOAXOMUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;.
What are the key properties of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium?
[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium has a molecular weight of 296.20 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium is sourced from PubChem (CID 59952655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).