2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium

C15H27Y- — CID 58754481

IUPAC2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium
SMILESCC(C)=[C-]C(=C(C(C)C)C(C)C)C(C)C.[Y]
InChIInChI=1S/C15H27.Y/c1-10(2)9-14(11(3)4)15(12(5)6)13(7)8;/h11-13H,1-8H3;/q-1;
InChIKeyFWOSHEIRLPDOMH-UHFFFAOYSA-N
MW296.29 g/mol
LogP5.02
Rot. Bonds4

About 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium

2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium (PubChem CID 58754481) has the molecular formula C15H27Y- and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium.

Molecular Properties

Compound Name2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium
PubChem CID58754481
Molecular FormulaC15H27Y-
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium
SMILESCC(C)=[C-]C(=C(C(C)C)C(C)C)C(C)C.[Y]
InChIInChI=1S/C15H27.Y/c1-10(2)9-14(11(3)4)15(12(5)6)13(7)8;/h11-13H,1-8H3;/q-1;
InChIKeyFWOSHEIRLPDOMH-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.29
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium?
The IUPAC name of 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium (CID 58754481) is 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium.
What is the SMILES notation for 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium?
The canonical SMILES for 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium is CC(C)=[C-]C(=C(C(C)C)C(C)C)C(C)C.[Y].
What is the InChIKey of 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium?
The InChIKey is FWOSHEIRLPDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27.Y/c1-10(2)9-14(11(3)4)15(12(5)6)13(7)8;/h11-13H,1-8H3;/q-1;.
What are the key properties of 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium?
2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium has a molecular weight of 296.29 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5-di(propan-2-yl)hepta-2,4-diene;yttrium is sourced from PubChem (CID 58754481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).