(1-ethyl-5-phenylhexa-1,5-dienyl)benzene

C20H22 — CID 57250345

IUPAC(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
SMILESC=C(CCC=C(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19/h4-9,12-16H,2-3,10-11H2,1H3
InChIKeyXRPAJMQJYJHGOX-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.97
Rot. Bonds6

About (1-ethyl-5-phenylhexa-1,5-dienyl)benzene

(1-ethyl-5-phenylhexa-1,5-dienyl)benzene (PubChem CID 57250345) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is (1-ethyl-5-phenylhexa-1,5-dienyl)benzene.

Molecular Properties

Compound Name(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
PubChem CID57250345
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
SMILESC=C(CCC=C(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19/h4-9,12-16H,2-3,10-11H2,1H3
InChIKeyXRPAJMQJYJHGOX-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 101454794
(Z)-2-phenylbut-1-en-1-amine
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1-fluorobut-1-en-2-ylbenzene
CID 67823152
(E)-N-methyl-3-phenylpent-2-en-1-imine
CID 177407288
but-1-en-2-ylbenzene;prop-2-enenitrile
CID 160693211
5-methylhept-1-en-2-ylbenzene
CID 90870775
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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-phenylhexa-1,5-dienyl)benzene?
The IUPAC name of (1-ethyl-5-phenylhexa-1,5-dienyl)benzene (CID 57250345) is (1-ethyl-5-phenylhexa-1,5-dienyl)benzene.
What is the SMILES notation for (1-ethyl-5-phenylhexa-1,5-dienyl)benzene?
The canonical SMILES for (1-ethyl-5-phenylhexa-1,5-dienyl)benzene is C=C(CCC=C(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-ethyl-5-phenylhexa-1,5-dienyl)benzene?
The InChIKey is XRPAJMQJYJHGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19/h4-9,12-16H,2-3,10-11H2,1H3.
What are the key properties of (1-ethyl-5-phenylhexa-1,5-dienyl)benzene?
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene has a molecular weight of 262.40 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-phenylhexa-1,5-dienyl)benzene is sourced from PubChem (CID 57250345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).