(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene

C22H38 — CID 144667400

IUPAC(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
SMILESC=C/C(CC)=C(\C=C)C(C)C.C=C/C=C(/CC)C(C)CCC
InChIInChI=1S/C11H18.C11H20/c1-6-10(7-2)11(8-3)9(4)5;1-5-8-10(4)11(7-3)9-6-2/h6,8-9H,1,3,7H2,2,4-5H3;6,9-10H,2,5,7-8H2,1,3-4H3/b11-10-;11-9-
InChIKeyMVZMDCZJUIWELJ-MBLAEGESSA-N
MW302.55 g/mol
LogP7.67
Rot. Bonds9

About (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene

(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene (PubChem CID 144667400) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
PubChem CID144667400
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
SMILESC=C/C(CC)=C(\C=C)C(C)C.C=C/C=C(/CC)C(C)CCC
InChIInChI=1S/C11H18.C11H20/c1-6-10(7-2)11(8-3)9(4)5;1-5-8-10(4)11(7-3)9-6-2/h6,8-9H,1,3,7H2,2,4-5H3;6,9-10H,2,5,7-8H2,1,3-4H3/b11-10-;11-9-
InChIKeyMVZMDCZJUIWELJ-MBLAEGESSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene 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

(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
CID 143936258
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
CID 143267844
(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane
CID 143435251
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509
N-[(E)-2-ethenyl-3-methylhex-1-enyl]prop-2-enamide
CID 154979466
(3Z)-3-ethylhexa-1,3,5-triene;2-[[(5Z)-5-ethylocta-5,7-dien-4-yl]disulfanyl]ethanol
CID 144667398
2-(prop-2-enoylamino)pentanoic acid
CID 18798141

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene?
The IUPAC name of (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene (CID 144667400) is (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene is C=C/C(CC)=C(\C=C)C(C)C.C=C/C=C(/CC)C(C)CCC.
What is the InChIKey of (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene?
The InChIKey is MVZMDCZJUIWELJ-MBLAEGESSA-N. The full InChI is InChI=1S/C11H18.C11H20/c1-6-10(7-2)11(8-3)9(4)5;1-5-8-10(4)11(7-3)9-6-2/h6,8-9H,1,3,7H2,2,4-5H3;6,9-10H,2,5,7-8H2,1,3-4H3/b11-10-;11-9-.
What are the key properties of (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene?
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene has a molecular weight of 302.55 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene is sourced from PubChem (CID 144667400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).