hydroperoxyethane;propan-1-ol;titanium

C9H26O7Ti — CID 22572482

IUPAChydroperoxyethane;propan-1-ol;titanium
SMILESCCCO.CCOO.CCOO.CCOO.[Ti]
InChIInChI=1S/C3H8O.3C2H6O2.Ti/c1-2-3-4;3*1-2-4-3;/h4H,2-3H2,1H3;3*3H,2H2,1H3;
InChIKeyMVPAKDUZJAAOML-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.87
Rot. Bonds4

About hydroperoxyethane;propan-1-ol;titanium

hydroperoxyethane;propan-1-ol;titanium (PubChem CID 22572482) has the molecular formula C9H26O7Ti and a molecular weight of 294.17 g/mol. Its IUPAC name is hydroperoxyethane;propan-1-ol;titanium.

Molecular Properties

Compound Namehydroperoxyethane;propan-1-ol;titanium
PubChem CID22572482
Molecular FormulaC9H26O7Ti
Molecular Weight294.17 g/mol
Exact Mass294.12
IUPAC Namehydroperoxyethane;propan-1-ol;titanium
SMILESCCCO.CCOO.CCOO.CCOO.[Ti]
InChIInChI=1S/C3H8O.3C2H6O2.Ti/c1-2-3-4;3*1-2-4-3;/h4H,2-3H2,1H3;3*3H,2H2,1H3;
InChIKeyMVPAKDUZJAAOML-UHFFFAOYSA-N
XLogP1.87
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of hydroperoxyethane;propan-1-ol;titanium?
The IUPAC name of hydroperoxyethane;propan-1-ol;titanium (CID 22572482) is hydroperoxyethane;propan-1-ol;titanium.
What is the SMILES notation for hydroperoxyethane;propan-1-ol;titanium?
The canonical SMILES for hydroperoxyethane;propan-1-ol;titanium is CCCO.CCOO.CCOO.CCOO.[Ti].
What is the InChIKey of hydroperoxyethane;propan-1-ol;titanium?
The InChIKey is MVPAKDUZJAAOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3C2H6O2.Ti/c1-2-3-4;3*1-2-4-3;/h4H,2-3H2,1H3;3*3H,2H2,1H3;.
What are the key properties of hydroperoxyethane;propan-1-ol;titanium?
hydroperoxyethane;propan-1-ol;titanium has a molecular weight of 294.17 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyethane;propan-1-ol;titanium is sourced from PubChem (CID 22572482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).