potassium 5-methylidenehepta-1,3-diene

C8H11K — CID 155693270

IUPACpotassium 5-methylidenehepta-1,3-diene
SMILESC=C/[C-]=C/C(=C)CC.[K+]
InChIInChI=1S/C8H11.K/c1-4-6-7-8(3)5-2;/h4,7H,1,3,5H2,2H3;/q-1;+1
InChIKeyFCFXPGVZRYSTRV-UHFFFAOYSA-N
MW146.27 g/mol
LogP-0.50
Rot. Bonds3

About potassium 5-methylidenehepta-1,3-diene

potassium 5-methylidenehepta-1,3-diene (PubChem CID 155693270) has the molecular formula C8H11K and a molecular weight of 146.27 g/mol. Its IUPAC name is potassium 5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Namepotassium 5-methylidenehepta-1,3-diene
PubChem CID155693270
Molecular FormulaC8H11K
Molecular Weight146.27 g/mol
Exact Mass146.05
IUPAC Namepotassium 5-methylidenehepta-1,3-diene
SMILESC=C/[C-]=C/C(=C)CC.[K+]
InChIInChI=1S/C8H11.K/c1-4-6-7-8(3)5-2;/h4,7H,1,3,5H2,2H3;/q-1;+1
InChIKeyFCFXPGVZRYSTRV-UHFFFAOYSA-N
XLogP-0.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylidenepent-1-ene
CID 18850
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
copper(1+);nona-1,3-diene
CID 135068543
3-methylidenepent-1-ene;penta-1,3-diene
CID 158839725
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(E)-2-ethenyl-4-methylidenehex-2-enal
CID 142874155
but-1-ene;2-methylbut-1-ene
CID 90770104
buta-1,3-diene;propanoic acid
CID 175603482
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231

Frequently Asked Questions

What is the IUPAC name of potassium 5-methylidenehepta-1,3-diene?
The IUPAC name of potassium 5-methylidenehepta-1,3-diene (CID 155693270) is potassium 5-methylidenehepta-1,3-diene.
What is the SMILES notation for potassium 5-methylidenehepta-1,3-diene?
The canonical SMILES for potassium 5-methylidenehepta-1,3-diene is C=C/[C-]=C/C(=C)CC.[K+].
What is the InChIKey of potassium 5-methylidenehepta-1,3-diene?
The InChIKey is FCFXPGVZRYSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.K/c1-4-6-7-8(3)5-2;/h4,7H,1,3,5H2,2H3;/q-1;+1.
What are the key properties of potassium 5-methylidenehepta-1,3-diene?
potassium 5-methylidenehepta-1,3-diene has a molecular weight of 146.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methylidenehepta-1,3-diene is sourced from PubChem (CID 155693270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).