2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium

C26H30O4Ti — CID 87580087

IUPAC2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.[Ti].c1ccc2cc(OOc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O2.2C3H8O.Ti/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20;2*1-3(2)4;/h1-14H;2*3-4H,1-2H3;
InChIKeyIDFQZGMYZBMBQU-UHFFFAOYSA-N
MW454.39 g/mol
LogP6.14
Rot. Bonds3

About 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium

2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium (PubChem CID 87580087) has the molecular formula C26H30O4Ti and a molecular weight of 454.39 g/mol. Its IUPAC name is 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium.

Molecular Properties

Compound Name2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
PubChem CID87580087
Molecular FormulaC26H30O4Ti
Molecular Weight454.39 g/mol
Exact Mass454.16
IUPAC Name2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.[Ti].c1ccc2cc(OOc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O2.2C3H8O.Ti/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20;2*1-3(2)4;/h1-14H;2*3-4H,1-2H3;
InChIKeyIDFQZGMYZBMBQU-UHFFFAOYSA-N
XLogP6.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.39
LogP ≤ 56.14
H-Bond Donors ≤ 52
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

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CID 64720616
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(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
benzene;coronene;ethane;tris(2-methylpropane);naphthalene;propan-2-ol
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ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
4-naphthalen-2-yloxypentan-1-amine
CID 55076664
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CID 155439775

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium?
The IUPAC name of 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium (CID 87580087) is 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium.
What is the SMILES notation for 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium?
The canonical SMILES for 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium is CC(C)O.CC(C)O.[Ti].c1ccc2cc(OOc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium?
The InChIKey is IDFQZGMYZBMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C3H8O.Ti/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20;2*1-3(2)4;/h1-14H;2*3-4H,1-2H3;.
What are the key properties of 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium?
2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium has a molecular weight of 454.39 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium is sourced from PubChem (CID 87580087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).