7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium

C14H17OY- — CID 59215295

IUPAC7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium
SMILESC/C=C/C1CCc2c[c-]c(C)c(C)c2O1.[Y]
InChIInChI=1S/C14H17O.Y/c1-4-5-13-9-8-12-7-6-10(2)11(3)14(12)15-13;/h4-5,7,13H,8-9H2,1-3H3;/q-1;/b5-4+;
InChIKeyTVYCYEPWWPBTAN-FXRZFVDSSA-N
MW290.20 g/mol
LogP3.37
Rot. Bonds1

About 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium

7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium (PubChem CID 59215295) has the molecular formula C14H17OY- and a molecular weight of 290.20 g/mol. Its IUPAC name is 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium.

Molecular Properties

Compound Name7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium
PubChem CID59215295
Molecular FormulaC14H17OY-
Molecular Weight290.20 g/mol
Exact Mass290.03
IUPAC Name7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium
SMILESC/C=C/C1CCc2c[c-]c(C)c(C)c2O1.[Y]
InChIInChI=1S/C14H17O.Y/c1-4-5-13-9-8-12-7-6-10(2)11(3)14(12)15-13;/h4-5,7,13H,8-9H2,1-3H3;/q-1;/b5-4+;
InChIKeyTVYCYEPWWPBTAN-FXRZFVDSSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium?
The IUPAC name of 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium (CID 59215295) is 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium.
What is the SMILES notation for 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium?
The canonical SMILES for 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium is C/C=C/C1CCc2c[c-]c(C)c(C)c2O1.[Y].
What is the InChIKey of 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium?
The InChIKey is TVYCYEPWWPBTAN-FXRZFVDSSA-N. The full InChI is InChI=1S/C14H17O.Y/c1-4-5-13-9-8-12-7-6-10(2)11(3)14(12)15-13;/h4-5,7,13H,8-9H2,1-3H3;/q-1;/b5-4+;.
What are the key properties of 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium?
7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium has a molecular weight of 290.20 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,4,6-tetrahydrochromen-6-ide;yttrium is sourced from PubChem (CID 59215295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).