(2E)-4-methoxypenta-2,4-dien-1-one;yttrium

C6H7O2Y- — CID 59884469

IUPAC(2E)-4-methoxypenta-2,4-dien-1-one;yttrium
SMILESC=C(/C=C/[C-]=O)OC.[Y]
InChIInChI=1S/C6H7O2.Y/c1-6(8-2)4-3-5-7;/h3-4H,1H2,2H3;/q-1;/b4-3+;
InChIKeyADVXDHOILRCBEQ-BJILWQEISA-N
MW200.03 g/mol
LogP0.81
Rot. Bonds3

About (2E)-4-methoxypenta-2,4-dien-1-one;yttrium

(2E)-4-methoxypenta-2,4-dien-1-one;yttrium (PubChem CID 59884469) has the molecular formula C6H7O2Y- and a molecular weight of 200.03 g/mol. Its IUPAC name is (2E)-4-methoxypenta-2,4-dien-1-one;yttrium.

Molecular Properties

Compound Name(2E)-4-methoxypenta-2,4-dien-1-one;yttrium
PubChem CID59884469
Molecular FormulaC6H7O2Y-
Molecular Weight200.03 g/mol
Exact Mass199.95
IUPAC Name(2E)-4-methoxypenta-2,4-dien-1-one;yttrium
SMILESC=C(/C=C/[C-]=O)OC.[Y]
InChIInChI=1S/C6H7O2.Y/c1-6(8-2)4-3-5-7;/h3-4H,1H2,2H3;/q-1;/b4-3+;
InChIKeyADVXDHOILRCBEQ-BJILWQEISA-N
XLogP0.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-methoxypenta-2,4-dien-1-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-N-ethyl-3-methoxybuta-1,3-dien-1-amine
CID 163990722
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
ethane;(3Z)-5-methoxyhexa-1,3,5-triene-2-thiol
CID 143643726
(3Z,5E)-2-methoxy-5-methylhepta-1,3,5-triene
CID 142113111
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
CID 59884488
CID 59884488
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
2,4-dimethoxypenta-1,3-diene
CID 90861204
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
CID 144568960
N-[(4Z)-6-methoxy-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylidenebutan-1-imine;propane
CID 142282580
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methoxypenta-2,4-dien-1-one;yttrium?
The IUPAC name of (2E)-4-methoxypenta-2,4-dien-1-one;yttrium (CID 59884469) is (2E)-4-methoxypenta-2,4-dien-1-one;yttrium.
What is the SMILES notation for (2E)-4-methoxypenta-2,4-dien-1-one;yttrium?
The canonical SMILES for (2E)-4-methoxypenta-2,4-dien-1-one;yttrium is C=C(/C=C/[C-]=O)OC.[Y].
What is the InChIKey of (2E)-4-methoxypenta-2,4-dien-1-one;yttrium?
The InChIKey is ADVXDHOILRCBEQ-BJILWQEISA-N. The full InChI is InChI=1S/C6H7O2.Y/c1-6(8-2)4-3-5-7;/h3-4H,1H2,2H3;/q-1;/b4-3+;.
What are the key properties of (2E)-4-methoxypenta-2,4-dien-1-one;yttrium?
(2E)-4-methoxypenta-2,4-dien-1-one;yttrium has a molecular weight of 200.03 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methoxypenta-2,4-dien-1-one;yttrium is sourced from PubChem (CID 59884469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).