CID 134902709

C16H16KNd — CID 134902709

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Nd]
InChIInChI=1S/2C8H8.K.Nd/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyPWUQJJDCYXGBSP-HSFJRFSNSA-N
MW391.64 g/mol
LogP4.07
Rot. Bonds

About CID 134902709

CID 134902709 (PubChem CID 134902709) has the molecular formula C16H16KNd and a molecular weight of 391.64 g/mol.

Molecular Properties

Compound NameCID 134902709
PubChem CID134902709
Molecular FormulaC16H16KNd
Molecular Weight391.64 g/mol
Exact Mass389.00
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Nd]
InChIInChI=1S/2C8H8.K.Nd/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyPWUQJJDCYXGBSP-HSFJRFSNSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.64
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902709?
The IUPAC name of CID 134902709 (CID 134902709) is not available.
What is the SMILES notation for CID 134902709?
The canonical SMILES for CID 134902709 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Nd].
What is the InChIKey of CID 134902709?
The InChIKey is PWUQJJDCYXGBSP-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.K.Nd/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;.
What are the key properties of CID 134902709?
CID 134902709 has a molecular weight of 391.64 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902709 is sourced from PubChem (CID 134902709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).