CID 158304462

C4H6K — CID 158304462

IUPAC—
SMILESC=CC=C.[K]
InChIInChI=1S/C4H6.K/c1-3-4-2;/h3-4H,1-2H2;
InChIKeyGMXFSMGKLAOZJX-UHFFFAOYSA-N
MW93.19 g/mol
LogP0.98
Rot. Bonds1

About CID 158304462

CID 158304462 (PubChem CID 158304462) has the molecular formula C4H6K and a molecular weight of 93.19 g/mol.

Molecular Properties

Compound NameCID 158304462
PubChem CID158304462
Molecular FormulaC4H6K
Molecular Weight93.19 g/mol
Exact Mass93.01
IUPAC Name—
SMILESC=CC=C.[K]
InChIInChI=1S/C4H6.K/c1-3-4-2;/h3-4H,1-2H2;
InChIKeyGMXFSMGKLAOZJX-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene
CID 7845
buta-1,3-diene;niobium
CID 159648114
buta-1,3-diene;sulfanide
CID 19865721
magnesium buta-1,3-diene
CID 12825333
buta-1,3-diene;hydrochloride
CID 22994657
buta-1,3-diene;iron
CID 162166564
buta-1,3-diene;zirconium
CID 173105589
magnesium;buta-1,3-diene;hydride
CID 173132435
buta-1,3-diene;methane;uranium
CID 159390799
buta-1,3-diene;hydrazine
CID 159339609
buta-1,3-diene;molecular oxygen
CID 141321384
potassium;buta-1,3-diene;hydride
CID 173344451

Frequently Asked Questions

What is the IUPAC name of CID 158304462?
The IUPAC name of CID 158304462 (CID 158304462) is not available.
What is the SMILES notation for CID 158304462?
The canonical SMILES for CID 158304462 is C=CC=C.[K].
What is the InChIKey of CID 158304462?
The InChIKey is GMXFSMGKLAOZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.K/c1-3-4-2;/h3-4H,1-2H2;.
What are the key properties of CID 158304462?
CID 158304462 has a molecular weight of 93.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158304462 is sourced from PubChem (CID 158304462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).