1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene

C15H18 — CID 144660679

IUPAC1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene
SMILESC=C/C=C\C=C/Cc1ccc(CC)cc1
InChIInChI=1S/C15H18/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3,5-8,10-13H,1,4,9H2,2H3/b6-5-,8-7-
InChIKeyNFPSWSUEQFCECG-ISTTXYCBSA-N
MW198.31 g/mol
LogP4.09
Rot. Bonds5

About 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene

1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene (PubChem CID 144660679) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene
PubChem CID144660679
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene
SMILESC=C/C=C\C=C/Cc1ccc(CC)cc1
InChIInChI=1S/C15H18/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3,5-8,10-13H,1,4,9H2,2H3/b6-5-,8-7-
InChIKeyNFPSWSUEQFCECG-ISTTXYCBSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.09
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

4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline
CID 134257110
5-(4-ethylphenyl)pent-3-en-1-amine
CID 79591021
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5-methylthiophene
CID 130391131
4-[(1E)-buta-1,3-dienyl]aniline;4-ethylaniline
CID 144942639
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene?
The IUPAC name of 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene (CID 144660679) is 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene?
The canonical SMILES for 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene is C=C/C=C\C=C/Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene?
The InChIKey is NFPSWSUEQFCECG-ISTTXYCBSA-N. The full InChI is InChI=1S/C15H18/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h3,5-8,10-13H,1,4,9H2,2H3/b6-5-,8-7-.
What are the key properties of 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene?
1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2Z,4Z)-hepta-2,4,6-trienyl]benzene is sourced from PubChem (CID 144660679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).