C18H26Cl2Zr

C18H26Cl2Zr — CID 170842648

IUPAC—
SMILESCCCCC1=CC=C[CH]1.CCCCC1=CC=C[CH]1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyKZUKCLOWAMFDDB-UHFFFAOYSA-L
MW404.54 g/mol
LogP-0.24
Rot. Bonds6

About C18H26Cl2Zr

C18H26Cl2Zr (PubChem CID 170842648) has the molecular formula C18H26Cl2Zr and a molecular weight of 404.54 g/mol.

Molecular Properties

Compound NameC18H26Cl2Zr
PubChem CID170842648
Molecular FormulaC18H26Cl2Zr
Molecular Weight404.54 g/mol
Exact Mass402.05
IUPAC Name—
SMILESCCCCC1=CC=C[CH]1.CCCCC1=CC=C[CH]1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyKZUKCLOWAMFDDB-UHFFFAOYSA-L
XLogP-0.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of C18H26Cl2Zr?
The IUPAC name of C18H26Cl2Zr (CID 170842648) is not available.
What is the SMILES notation for C18H26Cl2Zr?
The canonical SMILES for C18H26Cl2Zr is CCCCC1=CC=C[CH]1.CCCCC1=CC=C[CH]1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of C18H26Cl2Zr?
The InChIKey is KZUKCLOWAMFDDB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;;;/h2*4-5,7-8H,2-3,6H2,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of C18H26Cl2Zr?
C18H26Cl2Zr has a molecular weight of 404.54 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for C18H26Cl2Zr is sourced from PubChem (CID 170842648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).