ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)

C19H32O2Y2-4 — CID 158108291

IUPACethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)
SMILESCC.CC.[CH2-]C(=C[C-]=O)C(C)C.[H]/[C-]=C(/C=C[C-]=O)C(C)C.[Y].[Y]
InChIInChI=1S/C8H10O.C7H10O.2C2H6.2Y/c1-7(2)8(3)5-4-6-9;1-6(2)7(3)4-5-8;2*1-2;;/h3-5,7H,1-2H3;4,6H,3H2,1-2H3;2*1-2H3;;/q2*-2;;;;
InChIKeyJNHPYXXBJURMRK-UHFFFAOYSA-N
MW470.28 g/mol
LogP5.23
Rot. Bonds5

About ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)

ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium) (PubChem CID 158108291) has the molecular formula C19H32O2Y2-4 and a molecular weight of 470.28 g/mol. Its IUPAC name is ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium).

Molecular Properties

Compound Nameethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)
PubChem CID158108291
Molecular FormulaC19H32O2Y2-4
Molecular Weight470.28 g/mol
Exact Mass470.05
IUPAC Nameethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)
SMILESCC.CC.[CH2-]C(=C[C-]=O)C(C)C.[H]/[C-]=C(/C=C[C-]=O)C(C)C.[Y].[Y]
InChIInChI=1S/C8H10O.C7H10O.2C2H6.2Y/c1-7(2)8(3)5-4-6-9;1-6(2)7(3)4-5-8;2*1-2;;/h3-5,7H,1-2H3;4,6H,3H2,1-2H3;2*1-2H3;;/q2*-2;;;;
InChIKeyJNHPYXXBJURMRK-UHFFFAOYSA-N
XLogP5.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)?
The IUPAC name of ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium) (CID 158108291) is ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium).
What is the SMILES notation for ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)?
The canonical SMILES for ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium) is CC.CC.[CH2-]C(=C[C-]=O)C(C)C.[H]/[C-]=C(/C=C[C-]=O)C(C)C.[Y].[Y].
What is the InChIKey of ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)?
The InChIKey is JNHPYXXBJURMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H10O.2C2H6.2Y/c1-7(2)8(3)5-4-6-9;1-6(2)7(3)4-5-8;2*1-2;;/h3-5,7H,1-2H3;4,6H,3H2,1-2H3;2*1-2H3;;/q2*-2;;;;.
What are the key properties of ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium)?
ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium) has a molecular weight of 470.28 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methanidylidene-5-methylhex-2-en-1-one;3-methanidyl-4-methylpent-2-en-1-one;bis(yttrium) is sourced from PubChem (CID 158108291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).