1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene

C23H30 — CID 154421723

IUPAC1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene
SMILESCC/C=C/C1CCC(/C=C/C#Cc2ccc(CCC)cc2)CC1
InChIInChI=1S/C23H30/c1-3-5-9-21-16-18-23(19-17-21)11-7-6-10-22-14-12-20(8-4-2)13-15-22/h5,7,9,11-15,21,23H,3-4,8,16-19H2,1-2H3/b9-5+,11-7+
InChIKeyHCOAIQZTVCSNNI-TWHYHQCRSA-N
MW306.49 g/mol
LogP6.32
Rot. Bonds5

About 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene

1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene (PubChem CID 154421723) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene
PubChem CID154421723
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene
SMILESCC/C=C/C1CCC(/C=C/C#Cc2ccc(CCC)cc2)CC1
InChIInChI=1S/C23H30/c1-3-5-9-21-16-18-23(19-17-21)11-7-6-10-22-14-12-20(8-4-2)13-15-22/h5,7,9,11-15,21,23H,3-4,8,16-19H2,1-2H3/b9-5+,11-7+
InChIKeyHCOAIQZTVCSNNI-TWHYHQCRSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-4-(4-prop-2-enylcyclohexyl)but-3-en-1-ynyl]-4-propylbenzene
CID 18657288
1-butyl-4-[4-[(E)-4-(4-propylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657294
1-pentyl-4-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]benzene
CID 54156877
1-butyl-4-[4-[(E)-4-(4-ethylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657209
1-pentyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54166796
1-[(E)-4-[4-[(E)-but-2-enyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657204
1-[(E)-4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657205
1-fluoro-4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54283016
1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene
CID 19424964
1-butyl-4-[(E)-4-[4-(4-pentoxyphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657156
2,6-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]but-3-en-1-ynyl]benzonitrile
CID 54427913
1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
CID 18657234

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene?
The IUPAC name of 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene (CID 154421723) is 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene.
What is the SMILES notation for 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene?
The canonical SMILES for 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene is CC/C=C/C1CCC(/C=C/C#Cc2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene?
The InChIKey is HCOAIQZTVCSNNI-TWHYHQCRSA-N. The full InChI is InChI=1S/C23H30/c1-3-5-9-21-16-18-23(19-17-21)11-7-6-10-22-14-12-20(8-4-2)13-15-22/h5,7,9,11-15,21,23H,3-4,8,16-19H2,1-2H3/b9-5+,11-7+.
What are the key properties of 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene?
1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene has a molecular weight of 306.49 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene is sourced from PubChem (CID 154421723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).