3-ethenyl-2-methylpenta-1,4-diene;yttrium

C8H12Y — CID 158513176

IUPAC3-ethenyl-2-methylpenta-1,4-diene;yttrium
SMILESC=CC(C=C)C(=C)C.[Y]
InChIInChI=1S/C8H12.Y/c1-5-8(6-2)7(3)4;/h5-6,8H,1-3H2,4H3;
InChIKeyHLHSJTSOSDPYQP-UHFFFAOYSA-N
MW197.09 g/mol
LogP2.55
Rot. Bonds3

About 3-ethenyl-2-methylpenta-1,4-diene;yttrium

3-ethenyl-2-methylpenta-1,4-diene;yttrium (PubChem CID 158513176) has the molecular formula C8H12Y and a molecular weight of 197.09 g/mol. Its IUPAC name is 3-ethenyl-2-methylpenta-1,4-diene;yttrium.

Molecular Properties

Compound Name3-ethenyl-2-methylpenta-1,4-diene;yttrium
PubChem CID158513176
Molecular FormulaC8H12Y
Molecular Weight197.09 g/mol
Exact Mass197.00
IUPAC Name3-ethenyl-2-methylpenta-1,4-diene;yttrium
SMILESC=CC(C=C)C(=C)C.[Y]
InChIInChI=1S/C8H12.Y/c1-5-8(6-2)7(3)4;/h5-6,8H,1-3H2,4H3;
InChIKeyHLHSJTSOSDPYQP-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-methylpenta-1,4-dien-3-ol
CID 102163423
[(4R)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] acetate
CID 162943769
manganese;bis(prop-1-en-2-ol);yttrium
CID 21040249
N-but-3-en-2-ylhydroxylamine
CID 18467379
(4-ethenyl-2,5-dimethylhexa-2,5-dienyl) butanoate
CID 163037957
4-hydroxy-3-methylhex-5-en-2-one
CID 18338976
ethenol chloride
CID 19833463
2-hydroxy-3-methylbut-3-enal
CID 79178156
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methylpenta-1,4-diene;yttrium?
The IUPAC name of 3-ethenyl-2-methylpenta-1,4-diene;yttrium (CID 158513176) is 3-ethenyl-2-methylpenta-1,4-diene;yttrium.
What is the SMILES notation for 3-ethenyl-2-methylpenta-1,4-diene;yttrium?
The canonical SMILES for 3-ethenyl-2-methylpenta-1,4-diene;yttrium is C=CC(C=C)C(=C)C.[Y].
What is the InChIKey of 3-ethenyl-2-methylpenta-1,4-diene;yttrium?
The InChIKey is HLHSJTSOSDPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Y/c1-5-8(6-2)7(3)4;/h5-6,8H,1-3H2,4H3;.
What are the key properties of 3-ethenyl-2-methylpenta-1,4-diene;yttrium?
3-ethenyl-2-methylpenta-1,4-diene;yttrium has a molecular weight of 197.09 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methylpenta-1,4-diene;yttrium is sourced from PubChem (CID 158513176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).