carbanide;ethane;titanium(4+)

C6H16Ti — CID 15012447

IUPACcarbanide;ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C2H5.2CH3.Ti/c2*1-2;;;/h2*1H2,2H3;2*1H3;/q4*-1;+4
InChIKeyDMTGQRBCVPOYHV-UHFFFAOYSA-N
MW136.06 g/mol
LogP2.58
Rot. Bonds

About carbanide;ethane;titanium(4+)

carbanide;ethane;titanium(4+) (PubChem CID 15012447) has the molecular formula C6H16Ti and a molecular weight of 136.06 g/mol. Its IUPAC name is carbanide;ethane;titanium(4+).

Molecular Properties

Compound Namecarbanide;ethane;titanium(4+)
PubChem CID15012447
Molecular FormulaC6H16Ti
Molecular Weight136.06 g/mol
Exact Mass136.07
IUPAC Namecarbanide;ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C2H5.2CH3.Ti/c2*1-2;;;/h2*1H2,2H3;2*1H3;/q4*-1;+4
InChIKeyDMTGQRBCVPOYHV-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;ethane;titanium(4+)?
The IUPAC name of carbanide;ethane;titanium(4+) (CID 15012447) is carbanide;ethane;titanium(4+).
What is the SMILES notation for carbanide;ethane;titanium(4+)?
The canonical SMILES for carbanide;ethane;titanium(4+) is [CH2-]C.[CH2-]C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;ethane;titanium(4+)?
The InChIKey is DMTGQRBCVPOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.2CH3.Ti/c2*1-2;;;/h2*1H2,2H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;ethane;titanium(4+)?
carbanide;ethane;titanium(4+) has a molecular weight of 136.06 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;titanium(4+) is sourced from PubChem (CID 15012447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).