bis(hexane);hexane;propane;yttrium

C21H48Y-2 — CID 160746631

IUPACbis(hexane);hexane;propane;yttrium
SMILESCCCCCC.CCCCCC.[CH2-]CC.[CH2-]CCCCC.[Y]
InChIInChI=1S/2C6H14.C6H13.C3H7.Y/c3*1-3-5-6-4-2;1-3-2;/h2*3-6H2,1-2H3;1,3-6H2,2H3;1,3H2,2H3;/q;;2*-1;
InChIKeySYMZSIPCHGXCLJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP8.80
Rot. Bonds9

About bis(hexane);hexane;propane;yttrium

bis(hexane);hexane;propane;yttrium (PubChem CID 160746631) has the molecular formula C21H48Y-2 and a molecular weight of 389.52 g/mol. Its IUPAC name is bis(hexane);hexane;propane;yttrium.

Molecular Properties

Compound Namebis(hexane);hexane;propane;yttrium
PubChem CID160746631
Molecular FormulaC21H48Y-2
Molecular Weight389.52 g/mol
Exact Mass389.28
IUPAC Namebis(hexane);hexane;propane;yttrium
SMILESCCCCCC.CCCCCC.[CH2-]CC.[CH2-]CCCCC.[Y]
InChIInChI=1S/2C6H14.C6H13.C3H7.Y/c3*1-3-5-6-4-2;1-3-2;/h2*3-6H2,1-2H3;1,3-6H2,2H3;1,3H2,2H3;/q;;2*-1;
InChIKeySYMZSIPCHGXCLJ-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 58.80
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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Frequently Asked Questions

What is the IUPAC name of bis(hexane);hexane;propane;yttrium?
The IUPAC name of bis(hexane);hexane;propane;yttrium (CID 160746631) is bis(hexane);hexane;propane;yttrium.
What is the SMILES notation for bis(hexane);hexane;propane;yttrium?
The canonical SMILES for bis(hexane);hexane;propane;yttrium is CCCCCC.CCCCCC.[CH2-]CC.[CH2-]CCCCC.[Y].
What is the InChIKey of bis(hexane);hexane;propane;yttrium?
The InChIKey is SYMZSIPCHGXCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.C6H13.C3H7.Y/c3*1-3-5-6-4-2;1-3-2;/h2*3-6H2,1-2H3;1,3-6H2,2H3;1,3H2,2H3;/q;;2*-1;.
What are the key properties of bis(hexane);hexane;propane;yttrium?
bis(hexane);hexane;propane;yttrium has a molecular weight of 389.52 g/mol, XLogP of 8.80, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexane);hexane;propane;yttrium is sourced from PubChem (CID 160746631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).