CID 134902229

C16H16K2Sm — CID 134902229

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[K].[Sm]
InChIInChI=1S/2C8H8.2K.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?;;;
InChIKeyPHKSAPWOTOHZGL-YIZCMJKUSA-N
MW436.86 g/mol
LogP3.69
Rot. Bonds

About CID 134902229

CID 134902229 (PubChem CID 134902229) has the molecular formula C16H16K2Sm and a molecular weight of 436.86 g/mol.

Molecular Properties

Compound NameCID 134902229
PubChem CID134902229
Molecular FormulaC16H16K2Sm
Molecular Weight436.86 g/mol
Exact Mass437.97
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[K].[Sm]
InChIInChI=1S/2C8H8.2K.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?;;;
InChIKeyPHKSAPWOTOHZGL-YIZCMJKUSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dipotassium cyclooctatetraenide
CID 129664032
CID 134902406
CID 134902406
CID 134902522
CID 134902522
CID 134902523
CID 134902523
CID 134902620
CID 134902620
CID 134902621
CID 134902621
CID 134902709
CID 134902709
CID 134902800
CID 134902800
CID 134902801
CID 134902801
CID 134902895
CID 134902895
CID 134902975
CID 134902975
Bis(cyclooctatetraene);thorium
CID 171041251

Frequently Asked Questions

What is the IUPAC name of CID 134902229?
The IUPAC name of CID 134902229 (CID 134902229) is not available.
What is the SMILES notation for CID 134902229?
The canonical SMILES for CID 134902229 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[K].[Sm].
What is the InChIKey of CID 134902229?
The InChIKey is PHKSAPWOTOHZGL-YIZCMJKUSA-N. The full InChI is InChI=1S/2C8H8.2K.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 134902229?
CID 134902229 has a molecular weight of 436.86 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902229 is sourced from PubChem (CID 134902229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).