CID 134902522

C16H16KY — CID 134902522

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Y]
InChIInChI=1S/2C8H8.K.Y/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?;;
InChIKeyOSAZRUYZKPEOEC-HSFJRFSNSA-N
MW336.31 g/mol
LogP4.07
Rot. Bonds

About CID 134902522

CID 134902522 (PubChem CID 134902522) has the molecular formula C16H16KY and a molecular weight of 336.31 g/mol.

Molecular Properties

Compound NameCID 134902522
PubChem CID134902522
Molecular FormulaC16H16KY
Molecular Weight336.31 g/mol
Exact Mass335.99
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Y]
InChIInChI=1S/2C8H8.K.Y/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?;;
InChIKeyOSAZRUYZKPEOEC-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 ≤ 500336.31
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 134902522?
The IUPAC name of CID 134902522 (CID 134902522) is not available.
What is the SMILES notation for CID 134902522?
The canonical SMILES for CID 134902522 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Y].
What is the InChIKey of CID 134902522?
The InChIKey is OSAZRUYZKPEOEC-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.K.Y/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 134902522?
CID 134902522 has a molecular weight of 336.31 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 134902522 is sourced from PubChem (CID 134902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).