(4S)-4-methyloct-7-ene-2,6-dione;yttrium

C9H13O2Y- — CID 59788978

IUPAC(4S)-4-methyloct-7-ene-2,6-dione;yttrium
SMILES[H]/[C-]=C\C(=O)C[C@@H](C)CC(C)=O.[Y]
InChIInChI=1S/C9H13O2.Y/c1-4-9(11)6-7(2)5-8(3)10;/h1,4,7H,5-6H2,2-3H3;/q-1;/t7-;/m0./s1
InChIKeyUUZIIVKPQFGVRD-FJXQXJEOSA-N
MW242.11 g/mol
LogP1.55
Rot. Bonds5

About (4S)-4-methyloct-7-ene-2,6-dione;yttrium

(4S)-4-methyloct-7-ene-2,6-dione;yttrium (PubChem CID 59788978) has the molecular formula C9H13O2Y- and a molecular weight of 242.11 g/mol. Its IUPAC name is (4S)-4-methyloct-7-ene-2,6-dione;yttrium.

Molecular Properties

Compound Name(4S)-4-methyloct-7-ene-2,6-dione;yttrium
PubChem CID59788978
Molecular FormulaC9H13O2Y-
Molecular Weight242.11 g/mol
Exact Mass242.00
IUPAC Name(4S)-4-methyloct-7-ene-2,6-dione;yttrium
SMILES[H]/[C-]=C\C(=O)C[C@@H](C)CC(C)=O.[Y]
InChIInChI=1S/C9H13O2.Y/c1-4-9(11)6-7(2)5-8(3)10;/h1,4,7H,5-6H2,2-3H3;/q-1;/t7-;/m0./s1
InChIKeyUUZIIVKPQFGVRD-FJXQXJEOSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 51.55
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 (4S)-4-methyloct-7-ene-2,6-dione;yttrium?
The IUPAC name of (4S)-4-methyloct-7-ene-2,6-dione;yttrium (CID 59788978) is (4S)-4-methyloct-7-ene-2,6-dione;yttrium.
What is the SMILES notation for (4S)-4-methyloct-7-ene-2,6-dione;yttrium?
The canonical SMILES for (4S)-4-methyloct-7-ene-2,6-dione;yttrium is [H]/[C-]=C\C(=O)C[C@@H](C)CC(C)=O.[Y].
What is the InChIKey of (4S)-4-methyloct-7-ene-2,6-dione;yttrium?
The InChIKey is UUZIIVKPQFGVRD-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13O2.Y/c1-4-9(11)6-7(2)5-8(3)10;/h1,4,7H,5-6H2,2-3H3;/q-1;/t7-;/m0./s1.
What are the key properties of (4S)-4-methyloct-7-ene-2,6-dione;yttrium?
(4S)-4-methyloct-7-ene-2,6-dione;yttrium has a molecular weight of 242.11 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyloct-7-ene-2,6-dione;yttrium is sourced from PubChem (CID 59788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).