CID 10850869

C18H24Ti+2 — CID 10850869

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4]
InChIInChI=1S/2C5H5.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H;2*1H,2-3H3;/q;;2*-1;+4
InChIKeyVOGIROLXTGTKFB-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds

About CID 10850869

CID 10850869 (PubChem CID 10850869) has the molecular formula C18H24Ti+2 and a molecular weight of 288.26 g/mol.

Molecular Properties

Compound NameCID 10850869
PubChem CID10850869
Molecular FormulaC18H24Ti+2
Molecular Weight288.26 g/mol
Exact Mass288.13
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4]
InChIInChI=1S/2C5H5.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H;2*1H,2-3H3;/q;;2*-1;+4
InChIKeyVOGIROLXTGTKFB-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
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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Related Compounds

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CID 134888567
CID 134888696
CID 134888696
CID 135084750
CID 135084750
CID 10634263
CID 10634263
CID 10781951
CID 10781951
CID 10825816
CID 10825816
Chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene
CID 23228612
Bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)
CID 23228751

Frequently Asked Questions

What is the IUPAC name of CID 10850869?
The IUPAC name of CID 10850869 (CID 10850869) is not available.
What is the SMILES notation for CID 10850869?
The canonical SMILES for CID 10850869 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4].
What is the InChIKey of CID 10850869?
The InChIKey is VOGIROLXTGTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H;2*1H,2-3H3;/q;;2*-1;+4.
What are the key properties of CID 10850869?
CID 10850869 has a molecular weight of 288.26 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10850869 is sourced from PubChem (CID 10850869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).