7-ethyl-3-methylidenenona-1,6-diene

C12H20 — CID 167443276

IUPAC7-ethyl-3-methylidenenona-1,6-diene
SMILESC=CC(=C)CCC=C(CC)CC
InChIInChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h5,10H,1,4,6-9H2,2-3H3
InChIKeyMHHAYYNXZHEASO-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds6

About 7-ethyl-3-methylidenenona-1,6-diene

7-ethyl-3-methylidenenona-1,6-diene (PubChem CID 167443276) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 7-ethyl-3-methylidenenona-1,6-diene.

Molecular Properties

Compound Name7-ethyl-3-methylidenenona-1,6-diene
PubChem CID167443276
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name7-ethyl-3-methylidenenona-1,6-diene
SMILESC=CC(=C)CCC=C(CC)CC
InChIInChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h5,10H,1,4,6-9H2,2-3H3
InChIKeyMHHAYYNXZHEASO-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-methyl-3-methylideneocta-1,6-diene
CID 173118544
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
3-methylidenepent-1-ene
CID 18850
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
3-methylidenetridec-1-ene
CID 3776253
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
5-ethylnona-1,5-diene
CID 54516473
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methylidenenona-1,6-diene?
The IUPAC name of 7-ethyl-3-methylidenenona-1,6-diene (CID 167443276) is 7-ethyl-3-methylidenenona-1,6-diene.
What is the SMILES notation for 7-ethyl-3-methylidenenona-1,6-diene?
The canonical SMILES for 7-ethyl-3-methylidenenona-1,6-diene is C=CC(=C)CCC=C(CC)CC.
What is the InChIKey of 7-ethyl-3-methylidenenona-1,6-diene?
The InChIKey is MHHAYYNXZHEASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h5,10H,1,4,6-9H2,2-3H3.
What are the key properties of 7-ethyl-3-methylidenenona-1,6-diene?
7-ethyl-3-methylidenenona-1,6-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 7-ethyl-3-methylidenenona-1,6-diene is sourced from PubChem (CID 167443276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).