1,2-di(propan-2-yl)naphthalene;hydrogen peroxide

C16H24O4 — CID 19002409

IUPAC1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
SMILESCC(C)c1ccc2ccccc2c1C(C)C.OO.OO
InChIInChI=1S/C16H20.2H2O2/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-2/h5-12H,1-4H3;2*1-2H
InChIKeyWRJDXIDFGOPHNQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP5.12
Rot. Bonds2

About 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide

1,2-di(propan-2-yl)naphthalene;hydrogen peroxide (PubChem CID 19002409) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide.

Molecular Properties

Compound Name1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
PubChem CID19002409
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
SMILESCC(C)c1ccc2ccccc2c1C(C)C.OO.OO
InChIInChI=1S/C16H20.2H2O2/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-2/h5-12H,1-4H3;2*1-2H
InChIKeyWRJDXIDFGOPHNQ-UHFFFAOYSA-N
XLogP5.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.36
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-chloro-2-propan-2-ylnaphthalene
CID 59606760
bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
CID 165025507
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843
1-propan-2-ylphenanthrene
CID 12628671
2-phenyl-3-propan-2-ylbenzo[g][1]benzofuran
CID 11565470
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
12-propan-2-ylbenzo[a]anthracen-7-amine
CID 155685833
butane;1-propan-2-ylnaphthalene
CID 157253186

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide?
The IUPAC name of 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide (CID 19002409) is 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide.
What is the SMILES notation for 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide?
The canonical SMILES for 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide is CC(C)c1ccc2ccccc2c1C(C)C.OO.OO.
What is the InChIKey of 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide?
The InChIKey is WRJDXIDFGOPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.2H2O2/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;2*1-2/h5-12H,1-4H3;2*1-2H.
What are the key properties of 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide?
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide has a molecular weight of 280.36 g/mol, XLogP of 5.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)naphthalene;hydrogen peroxide is sourced from PubChem (CID 19002409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).