7-methoxy-2-methylhept-1-en-3-one;yttrium

C9H15O2Y- — CID 59537182

IUPAC7-methoxy-2-methylhept-1-en-3-one;yttrium
SMILESC=C(C)C(=O)CC[CH-]COC.[Y]
InChIInChI=1S/C9H15O2.Y/c1-8(2)9(10)6-4-5-7-11-3;/h5H,1,4,6-7H2,2-3H3;/q-1;
InChIKeyDMJLRLVNKHIIQH-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.76
Rot. Bonds6

About 7-methoxy-2-methylhept-1-en-3-one;yttrium

7-methoxy-2-methylhept-1-en-3-one;yttrium (PubChem CID 59537182) has the molecular formula C9H15O2Y- and a molecular weight of 244.12 g/mol. Its IUPAC name is 7-methoxy-2-methylhept-1-en-3-one;yttrium.

Molecular Properties

Compound Name7-methoxy-2-methylhept-1-en-3-one;yttrium
PubChem CID59537182
Molecular FormulaC9H15O2Y-
Molecular Weight244.12 g/mol
Exact Mass244.01
IUPAC Name7-methoxy-2-methylhept-1-en-3-one;yttrium
SMILESC=C(C)C(=O)CC[CH-]COC.[Y]
InChIInChI=1S/C9H15O2.Y/c1-8(2)9(10)6-4-5-7-11-3;/h5H,1,4,6-7H2,2-3H3;/q-1;
InChIKeyDMJLRLVNKHIIQH-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxy-2-methylhept-1-en-3-one;yttrium?
The IUPAC name of 7-methoxy-2-methylhept-1-en-3-one;yttrium (CID 59537182) is 7-methoxy-2-methylhept-1-en-3-one;yttrium.
What is the SMILES notation for 7-methoxy-2-methylhept-1-en-3-one;yttrium?
The canonical SMILES for 7-methoxy-2-methylhept-1-en-3-one;yttrium is C=C(C)C(=O)CC[CH-]COC.[Y].
What is the InChIKey of 7-methoxy-2-methylhept-1-en-3-one;yttrium?
The InChIKey is DMJLRLVNKHIIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.Y/c1-8(2)9(10)6-4-5-7-11-3;/h5H,1,4,6-7H2,2-3H3;/q-1;.
What are the key properties of 7-methoxy-2-methylhept-1-en-3-one;yttrium?
7-methoxy-2-methylhept-1-en-3-one;yttrium has a molecular weight of 244.12 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylhept-1-en-3-one;yttrium is sourced from PubChem (CID 59537182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).