CID 134888567

C14H17ClTi — CID 134888567

IUPAC—
SMILESC=C([CH2-])C.Cl[Ti+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/2C5H5.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H;1-2H2,3H3;1H;/q;;-1;;+2/p-1
InChIKeySYCXOEWUVJDPDU-UHFFFAOYSA-M
MW268.61 g/mol
LogP4.13
Rot. Bonds

About CID 134888567

CID 134888567 (PubChem CID 134888567) has the molecular formula C14H17ClTi and a molecular weight of 268.61 g/mol.

Molecular Properties

Compound NameCID 134888567
PubChem CID134888567
Molecular FormulaC14H17ClTi
Molecular Weight268.61 g/mol
Exact Mass268.05
IUPAC Name—
SMILESC=C([CH2-])C.Cl[Ti+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/2C5H5.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H;1-2H2,3H3;1H;/q;;-1;;+2/p-1
InChIKeySYCXOEWUVJDPDU-UHFFFAOYSA-M
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of CID 134888567?
The IUPAC name of CID 134888567 (CID 134888567) is not available.
What is the SMILES notation for CID 134888567?
The canonical SMILES for CID 134888567 is C=C([CH2-])C.Cl[Ti+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 134888567?
The InChIKey is SYCXOEWUVJDPDU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H;1-2H2,3H3;1H;/q;;-1;;+2/p-1.
What are the key properties of CID 134888567?
CID 134888567 has a molecular weight of 268.61 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888567 is sourced from PubChem (CID 134888567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).