2,3,3,4,4-pentamethylpentan-2-ylbenzene

C16H26 — CID 59630443

IUPAC2,3,3,4,4-pentamethylpentan-2-ylbenzene
SMILESCC(C)(C)C(C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26/c1-14(2,3)16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyXWCRKVNVVCKHLQ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.04
Rot. Bonds2

About 2,3,3,4,4-pentamethylpentan-2-ylbenzene

2,3,3,4,4-pentamethylpentan-2-ylbenzene (PubChem CID 59630443) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethylpentan-2-ylbenzene.

Molecular Properties

Compound Name2,3,3,4,4-pentamethylpentan-2-ylbenzene
PubChem CID59630443
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2,3,3,4,4-pentamethylpentan-2-ylbenzene
SMILESCC(C)(C)C(C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26/c1-14(2,3)16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyXWCRKVNVVCKHLQ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentamethylpentan-2-ylbenzene?
The IUPAC name of 2,3,3,4,4-pentamethylpentan-2-ylbenzene (CID 59630443) is 2,3,3,4,4-pentamethylpentan-2-ylbenzene.
What is the SMILES notation for 2,3,3,4,4-pentamethylpentan-2-ylbenzene?
The canonical SMILES for 2,3,3,4,4-pentamethylpentan-2-ylbenzene is CC(C)(C)C(C)(C)C(C)(C)c1ccccc1.
What is the InChIKey of 2,3,3,4,4-pentamethylpentan-2-ylbenzene?
The InChIKey is XWCRKVNVVCKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-14(2,3)16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of 2,3,3,4,4-pentamethylpentan-2-ylbenzene?
2,3,3,4,4-pentamethylpentan-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethylpentan-2-ylbenzene is sourced from PubChem (CID 59630443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).