1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene

C16H20 — CID 142515824

IUPAC1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C\C=C/CC)c1ccc(CC)cc1
InChIInChI=1S/C16H20/c1-4-7-8-9-15(6-3)16-12-10-14(5-2)11-13-16/h6-13H,3-5H2,1-2H3/b8-7-,15-9+
InChIKeyKEMIGVVXFXTFIH-USTJKHOZSA-N
MW212.34 g/mol
LogP4.78
Rot. Bonds5

About 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene

1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene (PubChem CID 142515824) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
PubChem CID142515824
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C\C=C/CC)c1ccc(CC)cc1
InChIInChI=1S/C16H20/c1-4-7-8-9-15(6-3)16-12-10-14(5-2)11-13-16/h6-13H,3-5H2,1-2H3/b8-7-,15-9+
InChIKeyKEMIGVVXFXTFIH-USTJKHOZSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.78
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

ethane;methanol;[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 145162668
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
CID 118425061
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
N-ethenyl-4-ethylbenzenecarbothioamide
CID 143154132
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
4-ethylbenzoic acid;formaldehyde
CID 155718391

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene?
The IUPAC name of 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene (CID 142515824) is 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene.
What is the SMILES notation for 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene?
The canonical SMILES for 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene is C=C/C(=C\C=C/CC)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene?
The InChIKey is KEMIGVVXFXTFIH-USTJKHOZSA-N. The full InChI is InChI=1S/C16H20/c1-4-7-8-9-15(6-3)16-12-10-14(5-2)11-13-16/h6-13H,3-5H2,1-2H3/b8-7-,15-9+.
What are the key properties of 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene?
1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene is sourced from PubChem (CID 142515824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).