7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium

C12H13O2Y- — CID 59215282

IUPAC7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
SMILESCc1[c-]cc2c(c1C)OC(C=O)CC2.[Y]
InChIInChI=1S/C12H13O2.Y/c1-8-3-4-10-5-6-11(7-13)14-12(10)9(8)2;/h4,7,11H,5-6H2,1-2H3;/q-1;
InChIKeyYDTNJFORLSTHRV-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.99
Rot. Bonds1

About 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium

7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium (PubChem CID 59215282) has the molecular formula C12H13O2Y- and a molecular weight of 278.14 g/mol. Its IUPAC name is 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium.

Molecular Properties

Compound Name7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
PubChem CID59215282
Molecular FormulaC12H13O2Y-
Molecular Weight278.14 g/mol
Exact Mass278.00
IUPAC Name7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
SMILESCc1[c-]cc2c(c1C)OC(C=O)CC2.[Y]
InChIInChI=1S/C12H13O2.Y/c1-8-3-4-10-5-6-11(7-13)14-12(10)9(8)2;/h4,7,11H,5-6H2,1-2H3;/q-1;
InChIKeyYDTNJFORLSTHRV-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.99
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

2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59118170
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
(3E,6E)-3,6-di(ethylidene)oxane-2-carbaldehyde
CID 174791826
2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium(3+)
CID 20627850
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 142233535
3-(7,8-dihydro-2H-chromen-4-yl)propanal
CID 143559704

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium?
The IUPAC name of 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium (CID 59215282) is 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium.
What is the SMILES notation for 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium?
The canonical SMILES for 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium is Cc1[c-]cc2c(c1C)OC(C=O)CC2.[Y].
What is the InChIKey of 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium?
The InChIKey is YDTNJFORLSTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.Y/c1-8-3-4-10-5-6-11(7-13)14-12(10)9(8)2;/h4,7,11H,5-6H2,1-2H3;/q-1;.
What are the key properties of 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium?
7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium has a molecular weight of 278.14 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium is sourced from PubChem (CID 59215282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).