CID 135084750

C14H18Ti — CID 135084750

IUPAC—
SMILESC=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C4H8.Ti/c2*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1H2,2-3H3;
InChIKeyHXJYLFAWHKFACB-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.62
Rot. Bonds

About CID 135084750

CID 135084750 (PubChem CID 135084750) has the molecular formula C14H18Ti and a molecular weight of 234.16 g/mol.

Molecular Properties

Compound NameCID 135084750
PubChem CID135084750
Molecular FormulaC14H18Ti
Molecular Weight234.16 g/mol
Exact Mass234.09
IUPAC Name—
SMILESC=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/2C5H5.C4H8.Ti/c2*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1H2,2-3H3;
InChIKeyHXJYLFAWHKFACB-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135084750?
The IUPAC name of CID 135084750 (CID 135084750) is not available.
What is the SMILES notation for CID 135084750?
The canonical SMILES for CID 135084750 is C=C(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 135084750?
The InChIKey is HXJYLFAWHKFACB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H8.Ti/c2*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1H2,2-3H3;.
What are the key properties of CID 135084750?
CID 135084750 has a molecular weight of 234.16 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135084750 is sourced from PubChem (CID 135084750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).