ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane

C15H26 — CID 155693272

IUPACethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
SMILESC=C/C(C)=C(\C=C)C1CCCCC1.CC
InChIInChI=1S/C13H20.C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;1-2/h4-5,12H,1-2,6-10H2,3H3;1-2H3/b13-11+;
InChIKeyJYSMCKOLDULRHY-BNSHTTSQSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds3

About ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane

ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane (PubChem CID 155693272) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane.

Molecular Properties

Compound Nameethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
PubChem CID155693272
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
SMILESC=C/C(C)=C(\C=C)C1CCCCC1.CC
InChIInChI=1S/C13H20.C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;1-2/h4-5,12H,1-2,6-10H2,3H3;1-2H3/b13-11+;
InChIKeyJYSMCKOLDULRHY-BNSHTTSQSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane 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

ethane;2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 155692364
2-cyclohexyl-3-methylbut-2-enal;ethane
CID 91397598
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
CID 144579674
ethane;[(3E)-6-methylhepta-1,3,5-trien-3-yl] cyclohexanecarboxylate
CID 145229171
ethane;methyl cyclohexanecarboxylate;(3Z)-3-methylhexa-1,3,5-triene
CID 143623579
1-cyclohexylethanethione
CID 13294348
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
CID 87467219
3,4-dimethylpenta-1,3-diene
CID 6713443

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane?
The IUPAC name of ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane (CID 155693272) is ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane.
What is the SMILES notation for ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane?
The canonical SMILES for ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane is C=C/C(C)=C(\C=C)C1CCCCC1.CC.
What is the InChIKey of ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane?
The InChIKey is JYSMCKOLDULRHY-BNSHTTSQSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;1-2/h4-5,12H,1-2,6-10H2,3H3;1-2H3/b13-11+;.
What are the key properties of ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane?
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane is sourced from PubChem (CID 155693272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).