CID 134902129

C25H32Cl2Ti — CID 134902129

IUPAC—
SMILESCC(C)(C)[C]1[CH][CH][C](C(C)(C)[C]2[CH][C](C(C)(C)C)[C]3C=CC=C[C]32)[CH]1.Cl[Ti]Cl
InChIInChI=1S/C25H32.2ClH.Ti/c1-23(2,3)17-13-14-18(15-17)25(7,8)22-16-21(24(4,5)6)19-11-9-10-12-20(19)22;;;/h9-16H,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyIBIZBHNQDQQBGR-UHFFFAOYSA-L
MW451.30 g/mol
LogP7.90
Rot. Bonds2

About CID 134902129

CID 134902129 (PubChem CID 134902129) has the molecular formula C25H32Cl2Ti and a molecular weight of 451.30 g/mol.

Molecular Properties

Compound NameCID 134902129
PubChem CID134902129
Molecular FormulaC25H32Cl2Ti
Molecular Weight451.30 g/mol
Exact Mass450.14
IUPAC Name—
SMILESCC(C)(C)[C]1[CH][CH][C](C(C)(C)[C]2[CH][C](C(C)(C)C)[C]3C=CC=C[C]32)[CH]1.Cl[Ti]Cl
InChIInChI=1S/C25H32.2ClH.Ti/c1-23(2,3)17-13-14-18(15-17)25(7,8)22-16-21(24(4,5)6)19-11-9-10-12-20(19)22;;;/h9-16H,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyIBIZBHNQDQQBGR-UHFFFAOYSA-L
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.30
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902129?
The IUPAC name of CID 134902129 (CID 134902129) is not available.
What is the SMILES notation for CID 134902129?
The canonical SMILES for CID 134902129 is CC(C)(C)[C]1[CH][CH][C](C(C)(C)[C]2[CH][C](C(C)(C)C)[C]3C=CC=C[C]32)[CH]1.Cl[Ti]Cl.
What is the InChIKey of CID 134902129?
The InChIKey is IBIZBHNQDQQBGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H32.2ClH.Ti/c1-23(2,3)17-13-14-18(15-17)25(7,8)22-16-21(24(4,5)6)19-11-9-10-12-20(19)22;;;/h9-16H,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134902129?
CID 134902129 has a molecular weight of 451.30 g/mol, XLogP of 7.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902129 is sourced from PubChem (CID 134902129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).