4-methylidenehepta-1,5-diene

C8H12 — CID 76553064

IUPAC4-methylidenehepta-1,5-diene
SMILESC=CCC(=C)C=CC
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3
InChIKeyAGESRJGCXYAYON-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.69
Rot. Bonds3

About 4-methylidenehepta-1,5-diene

4-methylidenehepta-1,5-diene (PubChem CID 76553064) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 4-methylidenehepta-1,5-diene.

Molecular Properties

Compound Name4-methylidenehepta-1,5-diene
PubChem CID76553064
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name4-methylidenehepta-1,5-diene
SMILESC=CCC(=C)C=CC
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3
InChIKeyAGESRJGCXYAYON-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
(6E,8Z)-7-methyl-4-methylidenedeca-1,6,8-triene
CID 142247806
ethene;(Z)-2-methylidenepent-3-ene-1-thiol
CID 164863550
hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
4-ethylidene-6-propan-2-ylidenenona-1,7-diene
CID 91411455
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
(E)-4-methylideneundec-2-ene
CID 13425645
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(4Z)-4-iodohexa-1,4-diene
CID 88547743
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehepta-1,5-diene?
The IUPAC name of 4-methylidenehepta-1,5-diene (CID 76553064) is 4-methylidenehepta-1,5-diene.
What is the SMILES notation for 4-methylidenehepta-1,5-diene?
The canonical SMILES for 4-methylidenehepta-1,5-diene is C=CCC(=C)C=CC.
What is the InChIKey of 4-methylidenehepta-1,5-diene?
The InChIKey is AGESRJGCXYAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3.
What are the key properties of 4-methylidenehepta-1,5-diene?
4-methylidenehepta-1,5-diene has a molecular weight of 108.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehepta-1,5-diene is sourced from PubChem (CID 76553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).