carbanide;oxolane;titanium(2+)

C10H22O2Ti — CID 59365080

IUPACcarbanide;oxolane;titanium(2+)
SMILESC1CCOC1.C1CCOC1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C4H8O.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H3;/q;;2*-1;+2
InChIKeyRCBPZOWRPSXDNT-UHFFFAOYSA-N
MW222.15 g/mol
LogP2.49
Rot. Bonds

About carbanide;oxolane;titanium(2+)

carbanide;oxolane;titanium(2+) (PubChem CID 59365080) has the molecular formula C10H22O2Ti and a molecular weight of 222.15 g/mol. Its IUPAC name is carbanide;oxolane;titanium(2+).

Molecular Properties

Compound Namecarbanide;oxolane;titanium(2+)
PubChem CID59365080
Molecular FormulaC10H22O2Ti
Molecular Weight222.15 g/mol
Exact Mass222.11
IUPAC Namecarbanide;oxolane;titanium(2+)
SMILESC1CCOC1.C1CCOC1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C4H8O.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H3;/q;;2*-1;+2
InChIKeyRCBPZOWRPSXDNT-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;oxolane;titanium(2+)?
The IUPAC name of carbanide;oxolane;titanium(2+) (CID 59365080) is carbanide;oxolane;titanium(2+).
What is the SMILES notation for carbanide;oxolane;titanium(2+)?
The canonical SMILES for carbanide;oxolane;titanium(2+) is C1CCOC1.C1CCOC1.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;oxolane;titanium(2+)?
The InChIKey is RCBPZOWRPSXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;oxolane;titanium(2+)?
carbanide;oxolane;titanium(2+) has a molecular weight of 222.15 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;oxolane;titanium(2+) is sourced from PubChem (CID 59365080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).