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

C10H9O2Y+2 — CID 20627850

IUPAC2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
SMILESO=CC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H9O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,7,9H,5-6H2;/q-1;+3
InChIKeyKRVFHDUNNUZUMR-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.38
Rot. Bonds1

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

2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+) (PubChem CID 20627850) has the molecular formula C10H9O2Y+2 and a molecular weight of 250.09 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+).

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
PubChem CID20627850
Molecular FormulaC10H9O2Y+2
Molecular Weight250.09 g/mol
Exact Mass249.97
IUPAC Name2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
SMILESO=CC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H9O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,7,9H,5-6H2;/q-1;+3
InChIKeyKRVFHDUNNUZUMR-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8a-Dihydrochromen-8-one
CID 57312610
4,6-Dihydrochromen-6-id-3-one
CID 58490936
3,5-dihydro-2H-1-benzofuran-5-ide-2-carbaldehyde;yttrium
CID 59106146
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59118170
7,8-Dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59215282
2-(1-Cyclohexa-1,3-dien-1-ylethoxy)butanal
CID 123899341
2,3,4,5-Tetrahydro-1-benzofuran-2-carbaldehyde
CID 142224246
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
CID 142233534
1-(2,3,4,6-Tetrahydrochromen-6-id-2-yl)propan-1-one;yttrium
CID 148250198
2-(7,8-Dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 148940071
(3E,6E)-3,6-di(ethylidene)oxane-2-carbaldehyde
CID 174791826
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 142233535

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+) (CID 20627850) is 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+).
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+) is O=CC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)?
The InChIKey is KRVFHDUNNUZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O2.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,7,9H,5-6H2;/q-1;+3.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)?
2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+) has a molecular weight of 250.09 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+) is sourced from PubChem (CID 20627850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).