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

C15H18 — CID 142040611

IUPAC[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(C(=C/C)\CC)/c1ccccc1
InChIInChI=1S/C15H18/c1-4-10-15(13(5-2)6-3)14-11-8-7-9-12-14/h4-5,7-12H,1,6H2,2-3H3/b13-5-,15-10+
InChIKeyGTWUACCUXXQZTO-UISDEUSISA-N
MW198.31 g/mol
LogP4.61
Rot. Bonds4

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

[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene (PubChem CID 142040611) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
PubChem CID142040611
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(C(=C/C)\CC)/c1ccccc1
InChIInChI=1S/C15H18/c1-4-10-15(13(5-2)6-3)14-11-8-7-9-12-14/h4-5,7-12H,1,6H2,2-3H3/b13-5-,15-10+
InChIKeyGTWUACCUXXQZTO-UISDEUSISA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.61
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

(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
CID 142021955
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
ethane;methanamine;(3Z)-N-methyl-3-phenyl-N-phosphanylhexa-1,3,5-trien-2-amine
CID 144910612
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
[(E)-hept-2-en-3-yl]benzene
CID 14568345
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene?
The IUPAC name of [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene (CID 142040611) is [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene.
What is the SMILES notation for [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene?
The canonical SMILES for [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene is C=C/C=C(C(=C/C)\CC)/c1ccccc1.
What is the InChIKey of [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene?
The InChIKey is GTWUACCUXXQZTO-UISDEUSISA-N. The full InChI is InChI=1S/C15H18/c1-4-10-15(13(5-2)6-3)14-11-8-7-9-12-14/h4-5,7-12H,1,6H2,2-3H3/b13-5-,15-10+.
What are the key properties of [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene?
[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene is sourced from PubChem (CID 142040611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).