zinc bis(2-methylpent-1-en-4-yn-3-ol)

C12H14O2Zn — CID 177456689

IUPACzinc bis(2-methylpent-1-en-4-yn-3-ol)
SMILES[C-]#CC(O)C(=C)C.[C-]#CC(O)C(=C)C.[Zn+2]
InChIInChI=1S/2C6H7O.Zn/c2*1-4-6(7)5(2)3;/h2*6-7H,2H2,3H3;/q2*-1;+2
InChIKeySDUIIAATGPLNMK-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.02
Rot. Bonds2

About zinc bis(2-methylpent-1-en-4-yn-3-ol)

zinc bis(2-methylpent-1-en-4-yn-3-ol) (PubChem CID 177456689) has the molecular formula C12H14O2Zn and a molecular weight of 255.63 g/mol. Its IUPAC name is zinc bis(2-methylpent-1-en-4-yn-3-ol).

Molecular Properties

Compound Namezinc bis(2-methylpent-1-en-4-yn-3-ol)
PubChem CID177456689
Molecular FormulaC12H14O2Zn
Molecular Weight255.63 g/mol
Exact Mass254.03
IUPAC Namezinc bis(2-methylpent-1-en-4-yn-3-ol)
SMILES[C-]#CC(O)C(=C)C.[C-]#CC(O)C(=C)C.[Zn+2]
InChIInChI=1S/2C6H7O.Zn/c2*1-4-6(7)5(2)3;/h2*6-7H,2H2,3H3;/q2*-1;+2
InChIKeySDUIIAATGPLNMK-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze zinc bis(2-methylpent-1-en-4-yn-3-ol) 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

2-Methyloct-1-en-6-yn-3-ol
CID 12653929
2-Methylpent-1-en-4-yn-3-ol
CID 14412169
6-Methyl-1,6-heptadien-4-yn-3-ol
CID 20144474
(3S)-2-methylpent-1-en-4-yn-3-ol
CID 44541138
2,7-Dimethylocta-1,7-dien-4-yne-3,6-diol
CID 46192805
2-Methylhex-1-en-4-yn-3-ol
CID 57075761
(1E,7E)-1,8-diethoxy-2,7-dimethylocta-1,7-dien-4-yne-3,6-diol
CID 89666670
1,8-Diethoxy-2,7-dimethylocta-1,7-dien-4-yne-3,6-diol
CID 123868706
3-Methylene-4-nonyn-2-ol
CID 13247373
2,6-Dimethylhept-1-en-4-yn-3-ol
CID 13857315
7-Methyl-4-methylideneoct-5-yn-3-ol
CID 85689413
5-Methylidenehept-3-yne-2,6-diol
CID 85952971

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-methylpent-1-en-4-yn-3-ol)?
The IUPAC name of zinc bis(2-methylpent-1-en-4-yn-3-ol) (CID 177456689) is zinc bis(2-methylpent-1-en-4-yn-3-ol).
What is the SMILES notation for zinc bis(2-methylpent-1-en-4-yn-3-ol)?
The canonical SMILES for zinc bis(2-methylpent-1-en-4-yn-3-ol) is [C-]#CC(O)C(=C)C.[C-]#CC(O)C(=C)C.[Zn+2].
What is the InChIKey of zinc bis(2-methylpent-1-en-4-yn-3-ol)?
The InChIKey is SDUIIAATGPLNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7O.Zn/c2*1-4-6(7)5(2)3;/h2*6-7H,2H2,3H3;/q2*-1;+2.
What are the key properties of zinc bis(2-methylpent-1-en-4-yn-3-ol)?
zinc bis(2-methylpent-1-en-4-yn-3-ol) has a molecular weight of 255.63 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-methylpent-1-en-4-yn-3-ol) is sourced from PubChem (CID 177456689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).