3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane

C20H43Cl — CID 158783092

IUPAC3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane
SMILESCC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(Cl)C(C)(C)C
InChIInChI=1S/C11H24.C9H19Cl/c1-9(2,3)11(7,8)10(4,5)6;1-8(2,3)7(10)9(4,5)6/h1-8H3;7H,1-6H3
InChIKeyIRIHBYRQMYUQFG-UHFFFAOYSA-N
MW319.02 g/mol
LogP7.79
Rot. Bonds

About 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane

3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane (PubChem CID 158783092) has the molecular formula C20H43Cl and a molecular weight of 319.02 g/mol. Its IUPAC name is 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane.

Molecular Properties

Compound Name3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane
PubChem CID158783092
Molecular FormulaC20H43Cl
Molecular Weight319.02 g/mol
Exact Mass318.31
IUPAC Name3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane
SMILESCC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(Cl)C(C)(C)C
InChIInChI=1S/C11H24.C9H19Cl/c1-9(2,3)11(7,8)10(4,5)6;1-8(2,3)7(10)9(4,5)6/h1-8H3;7H,1-6H3
InChIKeyIRIHBYRQMYUQFG-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.02
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
CID 123795334
ditert-butyl-(3-chloro-2,4,4-trimethylpentan-2-yl)phosphane;palladium(2+)
CID 175885738
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
3-chloro-2,2-dimethylpentane
CID 13351497
2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
CID 165099298
chloromethane;2,2-dimethylpropane
CID 142899692
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
CID 167651170
1,1-dichloro-2,2,3,3,4,4-hexafluoropentane
CID 23036937
2-acetamido-3,3-dimethylbutanoyl chloride
CID 130013927
1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
CID 61083124
2-chloro-2-fluoro-3-methylbutane
CID 88897527

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane?
The IUPAC name of 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane (CID 158783092) is 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane.
What is the SMILES notation for 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane?
The canonical SMILES for 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane is CC(C)(C)C(C)(C)C(C)(C)C.CC(C)(C)C(Cl)C(C)(C)C.
What is the InChIKey of 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane?
The InChIKey is IRIHBYRQMYUQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C9H19Cl/c1-9(2,3)11(7,8)10(4,5)6;1-8(2,3)7(10)9(4,5)6/h1-8H3;7H,1-6H3.
What are the key properties of 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane?
3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane has a molecular weight of 319.02 g/mol, XLogP of 7.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane is sourced from PubChem (CID 158783092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).