octane;bis(2,2,4-trimethylpentane);zinc

C24H51Zn3-3 — CID 175036609

IUPACoctane;bis(2,2,4-trimethylpentane);zinc
SMILESC[C-](C)CC(C)(C)C.C[C-](C)CC(C)(C)C.C[CH-]CCCCCC.[Zn].[Zn].[Zn]
InChIInChI=1S/3C8H17.3Zn/c2*1-7(2)6-8(3,4)5;1-3-5-7-8-6-4-2;;;/h2*6H2,1-5H3;3H,4-8H2,1-2H3;;;/q3*-1;;;
InChIKeySLRZRGCNBRJRLH-UHFFFAOYSA-N
MW535.84 g/mol
LogP9.25
Rot. Bonds7

About octane;bis(2,2,4-trimethylpentane);zinc

octane;bis(2,2,4-trimethylpentane);zinc (PubChem CID 175036609) has the molecular formula C24H51Zn3-3 and a molecular weight of 535.84 g/mol. Its IUPAC name is octane;bis(2,2,4-trimethylpentane);zinc.

Molecular Properties

Compound Nameoctane;bis(2,2,4-trimethylpentane);zinc
PubChem CID175036609
Molecular FormulaC24H51Zn3-3
Molecular Weight535.84 g/mol
Exact Mass531.19
IUPAC Nameoctane;bis(2,2,4-trimethylpentane);zinc
SMILESC[C-](C)CC(C)(C)C.C[C-](C)CC(C)(C)C.C[CH-]CCCCCC.[Zn].[Zn].[Zn]
InChIInChI=1S/3C8H17.3Zn/c2*1-7(2)6-8(3,4)5;1-3-5-7-8-6-4-2;;;/h2*6H2,1-5H3;3H,4-8H2,1-2H3;;;/q3*-1;;;
InChIKeySLRZRGCNBRJRLH-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.84
LogP ≤ 59.25
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of octane;bis(2,2,4-trimethylpentane);zinc?
The IUPAC name of octane;bis(2,2,4-trimethylpentane);zinc (CID 175036609) is octane;bis(2,2,4-trimethylpentane);zinc.
What is the SMILES notation for octane;bis(2,2,4-trimethylpentane);zinc?
The canonical SMILES for octane;bis(2,2,4-trimethylpentane);zinc is C[C-](C)CC(C)(C)C.C[C-](C)CC(C)(C)C.C[CH-]CCCCCC.[Zn].[Zn].[Zn].
What is the InChIKey of octane;bis(2,2,4-trimethylpentane);zinc?
The InChIKey is SLRZRGCNBRJRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.3Zn/c2*1-7(2)6-8(3,4)5;1-3-5-7-8-6-4-2;;;/h2*6H2,1-5H3;3H,4-8H2,1-2H3;;;/q3*-1;;;.
What are the key properties of octane;bis(2,2,4-trimethylpentane);zinc?
octane;bis(2,2,4-trimethylpentane);zinc has a molecular weight of 535.84 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octane;bis(2,2,4-trimethylpentane);zinc is sourced from PubChem (CID 175036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).