CID 135046604

C15H19Ti — CID 135046604

IUPAC—
SMILESC[CH][CH][CH]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;1-3-5-4-2;/h2*1-5H;3-5H,1-2H3;
InChIKeyGKZVTDNFAXYVST-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.68
Rot. Bonds2

About CID 135046604

CID 135046604 (PubChem CID 135046604) has the molecular formula C15H19Ti and a molecular weight of 247.18 g/mol.

Molecular Properties

Compound NameCID 135046604
PubChem CID135046604
Molecular FormulaC15H19Ti
Molecular Weight247.18 g/mol
Exact Mass247.10
IUPAC Name—
SMILESC[CH][CH][CH]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;1-3-5-4-2;/h2*1-5H;3-5H,1-2H3;
InChIKeyGKZVTDNFAXYVST-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 135046604?
The IUPAC name of CID 135046604 (CID 135046604) is not available.
What is the SMILES notation for CID 135046604?
The canonical SMILES for CID 135046604 is C[CH][CH][CH]C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 135046604?
The InChIKey is GKZVTDNFAXYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C5H9.Ti/c2*1-2-4-5-3-1;1-3-5-4-2;/h2*1-5H;3-5H,1-2H3;.
What are the key properties of CID 135046604?
CID 135046604 has a molecular weight of 247.18 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046604 is sourced from PubChem (CID 135046604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).