[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium

C11H12BrO2Y- — CID 58999623

IUPAC[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium
SMILESCc1[c-]c2c(cc1)CC[C@H](COBr)O2.[Y]
InChIInChI=1S/C11H12BrO2.Y/c1-8-2-3-9-4-5-10(7-13-12)14-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;/t10-;/m1./s1
InChIKeyBWSLKZIWAABMNO-HNCPQSOCSA-N
MW345.03 g/mol
LogP2.81
Rot. Bonds2

About [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium

[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium (PubChem CID 58999623) has the molecular formula C11H12BrO2Y- and a molecular weight of 345.03 g/mol. Its IUPAC name is [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium.

Molecular Properties

Compound Name[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium
PubChem CID58999623
Molecular FormulaC11H12BrO2Y-
Molecular Weight345.03 g/mol
Exact Mass343.91
IUPAC Name[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium
SMILESCc1[c-]c2c(cc1)CC[C@H](COBr)O2.[Y]
InChIInChI=1S/C11H12BrO2.Y/c1-8-2-3-9-4-5-10(7-13-12)14-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;/t10-;/m1./s1
InChIKeyBWSLKZIWAABMNO-HNCPQSOCSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 52.81
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

3-ethyl-6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-ide;yttrium
CID 58765321
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209
7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium
CID 59215295
2-methyl-5,6,7,8-tetrahydro-2H-chromene
CID 59288353
2-Methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
CID 59669840
(3S)-3-ethyl-6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-ide;yttrium
CID 60010887
2-Ethyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium
CID 60018267
(3S)-3-ethyl-6-methyl-3,5-dihydro-2H-1,4-benzodioxin-5-ide;yttrium
CID 60029604
2-Methyl-2,3,4,6-tetrahydrochromen-6-ide;yttrium
CID 60071935
6-Methyl-2,3,4a,5-tetrahydro-1,4-benzodioxine
CID 89337033
6-Methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
CID 123693567
2,6-Dimethyl-2,3,4a,5-tetrahydro-1,4-benzodioxine
CID 141937922

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium?
The IUPAC name of [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium (CID 58999623) is [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium.
What is the SMILES notation for [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium?
The canonical SMILES for [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium is Cc1[c-]c2c(cc1)CC[C@H](COBr)O2.[Y].
What is the InChIKey of [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium?
The InChIKey is BWSLKZIWAABMNO-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12BrO2.Y/c1-8-2-3-9-4-5-10(7-13-12)14-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;/t10-;/m1./s1.
What are the key properties of [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium?
[(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium has a molecular weight of 345.03 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl]methyl hypobromite;yttrium is sourced from PubChem (CID 58999623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).