(4Z)-7-ethyl-4-ethylidenenona-1,6-diene

C13H22 — CID 59970612

IUPAC(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
SMILESC=CC/C(=C/C)CC=C(CC)CC
InChIInChI=1S/C13H22/c1-5-9-13(8-4)11-10-12(6-2)7-3/h5,8,10H,1,6-7,9,11H2,2-4H3/b13-8-
InChIKeyIFKFMPUNGADJML-JYRVWZFOSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds6

About (4Z)-7-ethyl-4-ethylidenenona-1,6-diene

(4Z)-7-ethyl-4-ethylidenenona-1,6-diene (PubChem CID 59970612) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (4Z)-7-ethyl-4-ethylidenenona-1,6-diene.

Molecular Properties

Compound Name(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
PubChem CID59970612
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
SMILESC=CC/C(=C/C)CC=C(CC)CC
InChIInChI=1S/C13H22/c1-5-9-13(8-4)11-10-12(6-2)7-3/h5,8,10H,1,6-7,9,11H2,2-4H3/b13-8-
InChIKeyIFKFMPUNGADJML-JYRVWZFOSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethylidenehept-1-ene
CID 12841273
4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
1-ethyl-2-(3-ethylhexa-2,5-dienyl)cyclopropane
CID 90909412
4-prop-2-enylocta-1,4-diene
CID 173317146
4-ethylidenedeca-1,7-diene
CID 72650230
4-methylidenehepta-1,5-diene
CID 76553064
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
acetic acid;2-ethylidenepent-4-en-1-ol
CID 71397041
7-ethylnona-1,7-diene
CID 54551079

Frequently Asked Questions

What is the IUPAC name of (4Z)-7-ethyl-4-ethylidenenona-1,6-diene?
The IUPAC name of (4Z)-7-ethyl-4-ethylidenenona-1,6-diene (CID 59970612) is (4Z)-7-ethyl-4-ethylidenenona-1,6-diene.
What is the SMILES notation for (4Z)-7-ethyl-4-ethylidenenona-1,6-diene?
The canonical SMILES for (4Z)-7-ethyl-4-ethylidenenona-1,6-diene is C=CC/C(=C/C)CC=C(CC)CC.
What is the InChIKey of (4Z)-7-ethyl-4-ethylidenenona-1,6-diene?
The InChIKey is IFKFMPUNGADJML-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H22/c1-5-9-13(8-4)11-10-12(6-2)7-3/h5,8,10H,1,6-7,9,11H2,2-4H3/b13-8-.
What are the key properties of (4Z)-7-ethyl-4-ethylidenenona-1,6-diene?
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-ethyl-4-ethylidenenona-1,6-diene is sourced from PubChem (CID 59970612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).