carbanide;3,5-dimethylphenol;titanium(2+)

C10H16OTi — CID 174659955

IUPACcarbanide;3,5-dimethylphenol;titanium(2+)
SMILESCc1cc(C)cc(O)c1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C8H10O.2CH3.Ti/c1-6-3-7(2)5-8(9)4-6;;;/h3-5,9H,1-2H3;2*1H3;/q;2*-1;+2
InChIKeyIFOJEYPAUASRHO-UHFFFAOYSA-N
MW200.10 g/mol
LogP2.91
Rot. Bonds

About carbanide;3,5-dimethylphenol;titanium(2+)

carbanide;3,5-dimethylphenol;titanium(2+) (PubChem CID 174659955) has the molecular formula C10H16OTi and a molecular weight of 200.10 g/mol. Its IUPAC name is carbanide;3,5-dimethylphenol;titanium(2+).

Molecular Properties

Compound Namecarbanide;3,5-dimethylphenol;titanium(2+)
PubChem CID174659955
Molecular FormulaC10H16OTi
Molecular Weight200.10 g/mol
Exact Mass200.07
IUPAC Namecarbanide;3,5-dimethylphenol;titanium(2+)
SMILESCc1cc(C)cc(O)c1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C8H10O.2CH3.Ti/c1-6-3-7(2)5-8(9)4-6;;;/h3-5,9H,1-2H3;2*1H3;/q;2*-1;+2
InChIKeyIFOJEYPAUASRHO-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;3,5-dimethylphenol;titanium(2+)?
The IUPAC name of carbanide;3,5-dimethylphenol;titanium(2+) (CID 174659955) is carbanide;3,5-dimethylphenol;titanium(2+).
What is the SMILES notation for carbanide;3,5-dimethylphenol;titanium(2+)?
The canonical SMILES for carbanide;3,5-dimethylphenol;titanium(2+) is Cc1cc(C)cc(O)c1.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;3,5-dimethylphenol;titanium(2+)?
The InChIKey is IFOJEYPAUASRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.2CH3.Ti/c1-6-3-7(2)5-8(9)4-6;;;/h3-5,9H,1-2H3;2*1H3;/q;2*-1;+2.
What are the key properties of carbanide;3,5-dimethylphenol;titanium(2+)?
carbanide;3,5-dimethylphenol;titanium(2+) has a molecular weight of 200.10 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,5-dimethylphenol;titanium(2+) is sourced from PubChem (CID 174659955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).