CID 135046495

C13H15Ti — CID 135046495

IUPAC—
SMILES[CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C3H5.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyOCZHDMJEERJSMJ-UHFFFAOYSA-N
MW219.13 g/mol
LogP2.90
Rot. Bonds

About CID 135046495

CID 135046495 (PubChem CID 135046495) has the molecular formula C13H15Ti and a molecular weight of 219.13 g/mol.

Molecular Properties

Compound NameCID 135046495
PubChem CID135046495
Molecular FormulaC13H15Ti
Molecular Weight219.13 g/mol
Exact Mass219.07
IUPAC Name—
SMILES[CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C3H5.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyOCZHDMJEERJSMJ-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135046495?
The IUPAC name of CID 135046495 (CID 135046495) is not available.
What is the SMILES notation for CID 135046495?
The canonical SMILES for CID 135046495 is [CH2][CH][CH2].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 135046495?
The InChIKey is OCZHDMJEERJSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C3H5.Ti/c2*1-2-4-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;.
What are the key properties of CID 135046495?
CID 135046495 has a molecular weight of 219.13 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046495 is sourced from PubChem (CID 135046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).