5-methylideneundeca-2,6-diene

C12H20 — CID 57074948

IUPAC5-methylideneundeca-2,6-diene
SMILESC=C(C=CCCCC)CC=CC
InChIInChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyFQDVWJFSJYQPBH-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds6

About 5-methylideneundeca-2,6-diene

5-methylideneundeca-2,6-diene (PubChem CID 57074948) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-methylideneundeca-2,6-diene.

Molecular Properties

Compound Name5-methylideneundeca-2,6-diene
PubChem CID57074948
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-methylideneundeca-2,6-diene
SMILESC=C(C=CCCCC)CC=CC
InChIInChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyFQDVWJFSJYQPBH-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-methylideneundeca-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-6-methylidenetetradec-7-ene
CID 101198488
hept-2-ene;methanol
CID 135236025
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
8-methylidenedeca-2,6-diene
CID 123418054
(Z)-7-methylidenedodec-5-en-1-ol
CID 59925998
(2E,7E)-dodeca-2,7-diene
CID 173295735
(E)-6-methylidenenon-4-ene
CID 14364497
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
pentadeca-2,10-diene
CID 174048350
(E)-5-methylidenenon-3-ene
CID 173104879
formic acid;oct-2-ene
CID 159391664
2-methylundeca-1,6-diene
CID 173154459

Frequently Asked Questions

What is the IUPAC name of 5-methylideneundeca-2,6-diene?
The IUPAC name of 5-methylideneundeca-2,6-diene (CID 57074948) is 5-methylideneundeca-2,6-diene.
What is the SMILES notation for 5-methylideneundeca-2,6-diene?
The canonical SMILES for 5-methylideneundeca-2,6-diene is C=C(C=CCCCC)CC=CC.
What is the InChIKey of 5-methylideneundeca-2,6-diene?
The InChIKey is FQDVWJFSJYQPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of 5-methylideneundeca-2,6-diene?
5-methylideneundeca-2,6-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneundeca-2,6-diene is sourced from PubChem (CID 57074948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).