(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene

C12H20 — CID 143936258

IUPAC(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
SMILESC=C/C(CC)=C(\C=C)C(C)CC
InChIInChI=1S/C12H20/c1-6-10(5)12(9-4)11(7-2)8-3/h7,9-10H,2,4,6,8H2,1,3,5H3/b12-11-
InChIKeySCHIJLBZDVVGPA-QXMHVHEDSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds5

About (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene

(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene (PubChem CID 143936258) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
PubChem CID143936258
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
SMILESC=C/C(CC)=C(\C=C)C(C)CC
InChIInChI=1S/C12H20/c1-6-10(5)12(9-4)11(7-2)8-3/h7,9-10H,2,4,6,8H2,1,3,5H3/b12-11-
InChIKeySCHIJLBZDVVGPA-QXMHVHEDSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-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

(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
CID 155693335
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
CID 144667400
4-methylhex-1-en-3-one
CID 15724302
(3E)-3-ethyl-4-iodopenta-1,3-diene
CID 88557355
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
(3E,5Z)-4-butan-2-yl-3-(1,1-difluoroethyl)hepta-1,3,5-triene;ethane
CID 145471831
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
CID 142311406

Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene?
The IUPAC name of (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene (CID 143936258) is (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene.
What is the SMILES notation for (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene?
The canonical SMILES for (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene is C=C/C(CC)=C(\C=C)C(C)CC.
What is the InChIKey of (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene?
The InChIKey is SCHIJLBZDVVGPA-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H20/c1-6-10(5)12(9-4)11(7-2)8-3/h7,9-10H,2,4,6,8H2,1,3,5H3/b12-11-.
What are the key properties of (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene?
(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene is sourced from PubChem (CID 143936258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).