2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)

C10H11OY+2 — CID 20627858

IUPAC2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)
SMILESCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h3-5,8H,6-7H2,1H3;/q-1;+3
InChIKeyROFHPJIHSYCSSM-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.20
Rot. Bonds

About 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)

2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+) (PubChem CID 20627858) has the molecular formula C10H11OY+2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+).

Molecular Properties

Compound Name2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)
PubChem CID20627858
Molecular FormulaC10H11OY+2
Molecular Weight236.10 g/mol
Exact Mass235.99
IUPAC Name2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)
SMILESCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h3-5,8H,6-7H2,1H3;/q-1;+3
InChIKeyROFHPJIHSYCSSM-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
6-ethyl-2-methyl-3,4-dihydro-2H-chromene
CID 143125132
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
1-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethanol
CID 117283229
1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
CID 117335065
2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride
CID 84713984
7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 89242615
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
6-[(2-methyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 14307268
4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
CID 117340514
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)?
The IUPAC name of 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+) (CID 20627858) is 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+).
What is the SMILES notation for 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)?
The canonical SMILES for 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+) is CC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)?
The InChIKey is ROFHPJIHSYCSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h3-5,8H,6-7H2,1H3;/q-1;+3.
What are the key properties of 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+)?
2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+) has a molecular weight of 236.10 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium(3+) is sourced from PubChem (CID 20627858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).