CID 134902800

C16H16KSm — CID 134902800

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sm]
InChIInChI=1S/2C8H8.K.Sm/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?;;
InChIKeyYRXDEFLXAIIWID-HSFJRFSNSA-N
MW397.76 g/mol
LogP4.07
Rot. Bonds

About CID 134902800

CID 134902800 (PubChem CID 134902800) has the molecular formula C16H16KSm and a molecular weight of 397.76 g/mol.

Molecular Properties

Compound NameCID 134902800
PubChem CID134902800
Molecular FormulaC16H16KSm
Molecular Weight397.76 g/mol
Exact Mass399.01
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sm]
InChIInChI=1S/2C8H8.K.Sm/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?;;
InChIKeyYRXDEFLXAIIWID-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 ≤ 500397.76
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 134902800?
The IUPAC name of CID 134902800 (CID 134902800) is not available.
What is the SMILES notation for CID 134902800?
The canonical SMILES for CID 134902800 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Sm].
What is the InChIKey of CID 134902800?
The InChIKey is YRXDEFLXAIIWID-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.K.Sm/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 134902800?
CID 134902800 has a molecular weight of 397.76 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 134902800 is sourced from PubChem (CID 134902800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).