(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene

C12H20 — CID 142428664

IUPAC(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
SMILESC/C=C(\C=C/CC)C(C)=C(C)C
InChIInChI=1S/C12H20/c1-6-8-9-12(7-2)11(5)10(3)4/h7-9H,6H2,1-5H3/b9-8-,12-7+
InChIKeyCFJHXXAIWRYHBT-ZHCAKQDLSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds3

About (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene

(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene (PubChem CID 142428664) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
PubChem CID142428664
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
SMILESC/C=C(\C=C/CC)C(C)=C(C)C
InChIInChI=1S/C12H20/c1-6-8-9-12(7-2)11(5)10(3)4/h7-9H,6H2,1-5H3/b9-8-,12-7+
InChIKeyCFJHXXAIWRYHBT-ZHCAKQDLSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-ethylidenehept-4-en-2-one
CID 123873548
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
CID 163760417
(4E)-3-ethyl-4-ethylideneocta-1,2,5-triene
CID 143683567
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
CID 118029945
(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
CID 138735527
ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide
CID 166462652
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2E)-3-fluorohepta-2,4-diene
CID 143797404

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene?
The IUPAC name of (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene (CID 142428664) is (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene.
What is the SMILES notation for (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene?
The canonical SMILES for (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene is C/C=C(\C=C/CC)C(C)=C(C)C.
What is the InChIKey of (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene?
The InChIKey is CFJHXXAIWRYHBT-ZHCAKQDLSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-9-12(7-2)11(5)10(3)4/h7-9H,6H2,1-5H3/b9-8-,12-7+.
What are the key properties of (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene?
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene is sourced from PubChem (CID 142428664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).