CID 122130275

C18H26Cl2Zr — CID 122130275

IUPAC—
SMILESCCC[C]1[CH][CH][C](C)[CH]1.CCC[C]1[CH][CH][C](C)[CH]1.Cl[Zr]Cl
InChIInChI=1S/2C9H13.2ClH.Zr/c2*1-3-4-9-6-5-8(2)7-9;;;/h2*5-7H,3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyBFFXFEOVBDKKBJ-UHFFFAOYSA-L
MW404.54 g/mol
LogP6.54
Rot. Bonds4

About CID 122130275

CID 122130275 (PubChem CID 122130275) has the molecular formula C18H26Cl2Zr and a molecular weight of 404.54 g/mol.

Molecular Properties

Compound NameCID 122130275
PubChem CID122130275
Molecular FormulaC18H26Cl2Zr
Molecular Weight404.54 g/mol
Exact Mass402.05
IUPAC Name—
SMILESCCC[C]1[CH][CH][C](C)[CH]1.CCC[C]1[CH][CH][C](C)[CH]1.Cl[Zr]Cl
InChIInChI=1S/2C9H13.2ClH.Zr/c2*1-3-4-9-6-5-8(2)7-9;;;/h2*5-7H,3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyBFFXFEOVBDKKBJ-UHFFFAOYSA-L
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 122130275?
The IUPAC name of CID 122130275 (CID 122130275) is not available.
What is the SMILES notation for CID 122130275?
The canonical SMILES for CID 122130275 is CCC[C]1[CH][CH][C](C)[CH]1.CCC[C]1[CH][CH][C](C)[CH]1.Cl[Zr]Cl.
What is the InChIKey of CID 122130275?
The InChIKey is BFFXFEOVBDKKBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.2ClH.Zr/c2*1-3-4-9-6-5-8(2)7-9;;;/h2*5-7H,3-4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 122130275?
CID 122130275 has a molecular weight of 404.54 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122130275 is sourced from PubChem (CID 122130275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).