ethane;ethene;octa-1,7-diene;tetrakis(yttrium)

C20H38Y4-8 — CID 159457758

IUPACethane;ethene;octa-1,7-diene;tetrakis(yttrium)
SMILESC=C[CH-]CC[CH-]C=C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][C-]=C.[H][C-]=C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H12.4C2H5.2C2H3.4Y/c1-3-5-7-8-6-4-2;6*1-2;;;;/h3-6H,1-2,7-8H2;4*1H2,2H3;2*1H,2H2;;;;/q-2;6*-1;;;;
InChIKeyVYGWXUJPIIRBRV-UHFFFAOYSA-N
MW634.15 g/mol
LogP7.11
Rot. Bonds5

About ethane;ethene;octa-1,7-diene;tetrakis(yttrium)

ethane;ethene;octa-1,7-diene;tetrakis(yttrium) (PubChem CID 159457758) has the molecular formula C20H38Y4-8 and a molecular weight of 634.15 g/mol. Its IUPAC name is ethane;ethene;octa-1,7-diene;tetrakis(yttrium).

Molecular Properties

Compound Nameethane;ethene;octa-1,7-diene;tetrakis(yttrium)
PubChem CID159457758
Molecular FormulaC20H38Y4-8
Molecular Weight634.15 g/mol
Exact Mass633.93
IUPAC Nameethane;ethene;octa-1,7-diene;tetrakis(yttrium)
SMILESC=C[CH-]CC[CH-]C=C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][C-]=C.[H][C-]=C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H12.4C2H5.2C2H3.4Y/c1-3-5-7-8-6-4-2;6*1-2;;;;/h3-6H,1-2,7-8H2;4*1H2,2H3;2*1H,2H2;;;;/q-2;6*-1;;;;
InChIKeyVYGWXUJPIIRBRV-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.15
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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zinc;ethane;undec-1-ene
CID 173301253
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ethane;1-fluorobutane;tris(yttrium)
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strontium;zinc;ethane
CID 86043538
aluminum;ethane;chloride
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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;octa-1,7-diene;tetrakis(yttrium)?
The IUPAC name of ethane;ethene;octa-1,7-diene;tetrakis(yttrium) (CID 159457758) is ethane;ethene;octa-1,7-diene;tetrakis(yttrium).
What is the SMILES notation for ethane;ethene;octa-1,7-diene;tetrakis(yttrium)?
The canonical SMILES for ethane;ethene;octa-1,7-diene;tetrakis(yttrium) is C=C[CH-]CC[CH-]C=C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][C-]=C.[H][C-]=C.[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;ethene;octa-1,7-diene;tetrakis(yttrium)?
The InChIKey is VYGWXUJPIIRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.4C2H5.2C2H3.4Y/c1-3-5-7-8-6-4-2;6*1-2;;;;/h3-6H,1-2,7-8H2;4*1H2,2H3;2*1H,2H2;;;;/q-2;6*-1;;;;.
What are the key properties of ethane;ethene;octa-1,7-diene;tetrakis(yttrium)?
ethane;ethene;octa-1,7-diene;tetrakis(yttrium) has a molecular weight of 634.15 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;octa-1,7-diene;tetrakis(yttrium) is sourced from PubChem (CID 159457758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).