ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium

C16H24NY- — CID 177235343

IUPACethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESC/C=C\C=C(/C)c1c[c-]c(C(C)C)cn1.CC.[Y]
InChIInChI=1S/C14H18N.C2H6.Y/c1-5-6-7-12(4)14-9-8-13(10-15-14)11(2)3;1-2;/h5-7,9-11H,1-4H3;1-2H3;/q-1;;/b6-5-,12-7+;;
InChIKeyOHGVEBBEPDZBIZ-ISRFZNDLSA-N
MW319.28 g/mol
LogP5.01
Rot. Bonds3

About ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium

ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium (PubChem CID 177235343) has the molecular formula C16H24NY- and a molecular weight of 319.28 g/mol. Its IUPAC name is ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Nameethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium
PubChem CID177235343
Molecular FormulaC16H24NY-
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Nameethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESC/C=C\C=C(/C)c1c[c-]c(C(C)C)cn1.CC.[Y]
InChIInChI=1S/C14H18N.C2H6.Y/c1-5-6-7-12(4)14-9-8-13(10-15-14)11(2)3;1-2;/h5-7,9-11H,1-4H3;1-2H3;/q-1;;/b6-5-,12-7+;;
InChIKeyOHGVEBBEPDZBIZ-ISRFZNDLSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The IUPAC name of ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium (CID 177235343) is ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium is C/C=C\C=C(/C)c1c[c-]c(C(C)C)cn1.CC.[Y].
What is the InChIKey of ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The InChIKey is OHGVEBBEPDZBIZ-ISRFZNDLSA-N. The full InChI is InChI=1S/C14H18N.C2H6.Y/c1-5-6-7-12(4)14-9-8-13(10-15-14)11(2)3;1-2;/h5-7,9-11H,1-4H3;1-2H3;/q-1;;/b6-5-,12-7+;;.
What are the key properties of ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium has a molecular weight of 319.28 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-propan-2-yl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 177235343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).