CID 134902358

C15H19Ti — CID 134902358

IUPAC—
SMILES[CH2][CH][C](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C5H9.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;/h2*1-5H;4H,1H2,2-3H3;
InChIKeyAQLFWJJMPSSAJU-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.68
Rot. Bonds1

About CID 134902358

CID 134902358 (PubChem CID 134902358) has the molecular formula C15H19Ti and a molecular weight of 247.18 g/mol.

Molecular Properties

Compound NameCID 134902358
PubChem CID134902358
Molecular FormulaC15H19Ti
Molecular Weight247.18 g/mol
Exact Mass247.10
IUPAC Name—
SMILES[CH2][CH][C](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C5H9.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;/h2*1-5H;4H,1H2,2-3H3;
InChIKeyAQLFWJJMPSSAJU-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902358?
The IUPAC name of CID 134902358 (CID 134902358) is not available.
What is the SMILES notation for CID 134902358?
The canonical SMILES for CID 134902358 is [CH2][CH][C](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 134902358?
The InChIKey is AQLFWJJMPSSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C5H9.Ti/c2*1-2-4-5-3-1;1-4-5(2)3;/h2*1-5H;4H,1H2,2-3H3;.
What are the key properties of CID 134902358?
CID 134902358 has a molecular weight of 247.18 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902358 is sourced from PubChem (CID 134902358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).