CID 10658981

C16H20Ti+2 — CID 10658981

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H]/[C-]=C\C.[H]/[C-]=C\C.[Ti+4]
InChIInChI=1S/2C5H5.2C3H5.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1,3H,2H3;/q;;2*-1;+4
InChIKeyWNNHBUYWRLFZGE-UHFFFAOYSA-N
MW260.20 g/mol
LogP4.03
Rot. Bonds

About CID 10658981

CID 10658981 (PubChem CID 10658981) has the molecular formula C16H20Ti+2 and a molecular weight of 260.20 g/mol.

Molecular Properties

Compound NameCID 10658981
PubChem CID10658981
Molecular FormulaC16H20Ti+2
Molecular Weight260.20 g/mol
Exact Mass260.10
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H]/[C-]=C\C.[H]/[C-]=C\C.[Ti+4]
InChIInChI=1S/2C5H5.2C3H5.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1,3H,2H3;/q;;2*-1;+4
InChIKeyWNNHBUYWRLFZGE-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 54.03
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 CID 10658981?
The IUPAC name of CID 10658981 (CID 10658981) is not available.
What is the SMILES notation for CID 10658981?
The canonical SMILES for CID 10658981 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H]/[C-]=C\C.[H]/[C-]=C\C.[Ti+4].
What is the InChIKey of CID 10658981?
The InChIKey is WNNHBUYWRLFZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C3H5.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1,3H,2H3;/q;;2*-1;+4.
What are the key properties of CID 10658981?
CID 10658981 has a molecular weight of 260.20 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10658981 is sourced from PubChem (CID 10658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).