[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene

C15H18 — CID 142148330

IUPAC[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
SMILESC/C=C/C=C\C(=C/c1ccccc1)CC
InChIInChI=1S/C15H18/c1-3-5-7-10-14(4-2)13-15-11-8-6-9-12-15/h3,5-13H,4H2,1-2H3/b5-3+,10-7-,14-13-
InChIKeyILQHMVNALUTCOB-YVAJCWRHSA-N
MW198.31 g/mol
LogP4.61
Rot. Bonds4

About [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene

[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene (PubChem CID 142148330) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
PubChem CID142148330
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
SMILESC/C=C/C=C\C(=C/c1ccccc1)CC
InChIInChI=1S/C15H18/c1-3-5-7-10-14(4-2)13-15-11-8-6-9-12-15/h3,5-13H,4H2,1-2H3/b5-3+,10-7-,14-13-
InChIKeyILQHMVNALUTCOB-YVAJCWRHSA-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

[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene
CID 177474604
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CID 44565300
4-benzylidene-2-methylhex-2-enoic acid
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benzoic acid;hexa-2,4-dienoic acid;propanoic acid
CID 87243555
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
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CID 173357087
(3E)-3-benzylidenepentan-2-ol
CID 135080947
1-phenylhexa-2,4-dien-1-one
CID 57351073
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
2-(chloromethyl)but-1-enylbenzene
CID 54330617
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
CID 6288454
ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid
CID 175319879

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene?
The IUPAC name of [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene (CID 142148330) is [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene?
The canonical SMILES for [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene is C/C=C/C=C\C(=C/c1ccccc1)CC.
What is the InChIKey of [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene?
The InChIKey is ILQHMVNALUTCOB-YVAJCWRHSA-N. The full InChI is InChI=1S/C15H18/c1-3-5-7-10-14(4-2)13-15-11-8-6-9-12-15/h3,5-13H,4H2,1-2H3/b5-3+,10-7-,14-13-.
What are the key properties of [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene?
[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]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 [(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene is sourced from PubChem (CID 142148330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).