7-ethoxyoct-2-en-4-one;yttrium

C10H17O2Y- — CID 59700338

IUPAC7-ethoxyoct-2-en-4-one;yttrium
SMILES[CH2-]C(CCC(=O)C=CC)OCC.[Y]
InChIInChI=1S/C10H17O2.Y/c1-4-6-10(11)8-7-9(3)12-5-2;/h4,6,9H,3,5,7-8H2,1-2H3;/q-1;
InChIKeyJLVVGWOCLCTDSQ-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.15
Rot. Bonds6

About 7-ethoxyoct-2-en-4-one;yttrium

7-ethoxyoct-2-en-4-one;yttrium (PubChem CID 59700338) has the molecular formula C10H17O2Y- and a molecular weight of 258.15 g/mol. Its IUPAC name is 7-ethoxyoct-2-en-4-one;yttrium.

Molecular Properties

Compound Name7-ethoxyoct-2-en-4-one;yttrium
PubChem CID59700338
Molecular FormulaC10H17O2Y-
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name7-ethoxyoct-2-en-4-one;yttrium
SMILES[CH2-]C(CCC(=O)C=CC)OCC.[Y]
InChIInChI=1S/C10H17O2.Y/c1-4-6-10(11)8-7-9(3)12-5-2;/h4,6,9H,3,5,7-8H2,1-2H3;/q-1;
InChIKeyJLVVGWOCLCTDSQ-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxyoct-2-en-4-one;yttrium?
The IUPAC name of 7-ethoxyoct-2-en-4-one;yttrium (CID 59700338) is 7-ethoxyoct-2-en-4-one;yttrium.
What is the SMILES notation for 7-ethoxyoct-2-en-4-one;yttrium?
The canonical SMILES for 7-ethoxyoct-2-en-4-one;yttrium is [CH2-]C(CCC(=O)C=CC)OCC.[Y].
What is the InChIKey of 7-ethoxyoct-2-en-4-one;yttrium?
The InChIKey is JLVVGWOCLCTDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2.Y/c1-4-6-10(11)8-7-9(3)12-5-2;/h4,6,9H,3,5,7-8H2,1-2H3;/q-1;.
What are the key properties of 7-ethoxyoct-2-en-4-one;yttrium?
7-ethoxyoct-2-en-4-one;yttrium has a molecular weight of 258.15 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxyoct-2-en-4-one;yttrium is sourced from PubChem (CID 59700338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).