CID 126960954

C17H24Cl2Ti — CID 126960954

IUPAC—
SMILESC[C]1[CH][CH][CH][C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C10H15.C7H9.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-6-4-3-5-7(6)2;;;/h1-5H3;3-5H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyWOTGVMZZFSNXMN-UHFFFAOYSA-L
MW347.15 g/mol
LogP6.15
Rot. Bonds

About CID 126960954

CID 126960954 (PubChem CID 126960954) has the molecular formula C17H24Cl2Ti and a molecular weight of 347.15 g/mol.

Molecular Properties

Compound NameCID 126960954
PubChem CID126960954
Molecular FormulaC17H24Cl2Ti
Molecular Weight347.15 g/mol
Exact Mass346.07
IUPAC Name—
SMILESC[C]1[CH][CH][CH][C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C10H15.C7H9.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-6-4-3-5-7(6)2;;;/h1-5H3;3-5H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyWOTGVMZZFSNXMN-UHFFFAOYSA-L
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.15
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 126960954?
The IUPAC name of CID 126960954 (CID 126960954) is not available.
What is the SMILES notation for CID 126960954?
The canonical SMILES for CID 126960954 is C[C]1[CH][CH][CH][C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ti]Cl.
What is the InChIKey of CID 126960954?
The InChIKey is WOTGVMZZFSNXMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.C7H9.2ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-6-4-3-5-7(6)2;;;/h1-5H3;3-5H,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 126960954?
CID 126960954 has a molecular weight of 347.15 g/mol, XLogP of 6.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126960954 is sourced from PubChem (CID 126960954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).