2-(2,4,4-trimethylpentan-2-yl)naphthalene

C18H24 — CID 18987503

IUPAC2-(2,4,4-trimethylpentan-2-yl)naphthalene
SMILESCC(C)(C)CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H24/c1-17(2,3)13-18(4,5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,13H2,1-5H3
InChIKeyXYGURGDLZCCZNA-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.55
Rot. Bonds2

About 2-(2,4,4-trimethylpentan-2-yl)naphthalene

2-(2,4,4-trimethylpentan-2-yl)naphthalene (PubChem CID 18987503) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpentan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(2,4,4-trimethylpentan-2-yl)naphthalene
PubChem CID18987503
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-(2,4,4-trimethylpentan-2-yl)naphthalene
SMILESCC(C)(C)CC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H24/c1-17(2,3)13-18(4,5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,13H2,1-5H3
InChIKeyXYGURGDLZCCZNA-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpentan-2-yl)naphthalene?
The IUPAC name of 2-(2,4,4-trimethylpentan-2-yl)naphthalene (CID 18987503) is 2-(2,4,4-trimethylpentan-2-yl)naphthalene.
What is the SMILES notation for 2-(2,4,4-trimethylpentan-2-yl)naphthalene?
The canonical SMILES for 2-(2,4,4-trimethylpentan-2-yl)naphthalene is CC(C)(C)CC(C)(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,4,4-trimethylpentan-2-yl)naphthalene?
The InChIKey is XYGURGDLZCCZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-17(2,3)13-18(4,5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,13H2,1-5H3.
What are the key properties of 2-(2,4,4-trimethylpentan-2-yl)naphthalene?
2-(2,4,4-trimethylpentan-2-yl)naphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpentan-2-yl)naphthalene is sourced from PubChem (CID 18987503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).