CID 101004518

C10H15Cl3Ti — CID 101004518

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H15.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyQCEOZLISXJGWSW-UHFFFAOYSA-K
MW289.46 g/mol
LogP-5.72
Rot. Bonds

About CID 101004518

CID 101004518 (PubChem CID 101004518) has the molecular formula C10H15Cl3Ti and a molecular weight of 289.46 g/mol.

Molecular Properties

Compound NameCID 101004518
PubChem CID101004518
Molecular FormulaC10H15Cl3Ti
Molecular Weight289.46 g/mol
Exact Mass287.97
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H15.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyQCEOZLISXJGWSW-UHFFFAOYSA-K
XLogP-5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 5-5.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101004518?
The IUPAC name of CID 101004518 (CID 101004518) is not available.
What is the SMILES notation for CID 101004518?
The canonical SMILES for CID 101004518 is C[C]1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of CID 101004518?
The InChIKey is QCEOZLISXJGWSW-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 101004518?
CID 101004518 has a molecular weight of 289.46 g/mol, XLogP of -5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101004518 is sourced from PubChem (CID 101004518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).