1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene

C20H30O — CID 170842005

IUPAC1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
SMILESC/C=C/COc1ccc(C2CCC(CCCC)CC2)cc1
InChIInChI=1S/C20H30O/c1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-6-4-2/h4,6,12-15,17-18H,3,5,7-11,16H2,1-2H3/b6-4+
InChIKeyZEFMFGDVTUMDHX-GQCTYLIASA-N
MW286.46 g/mol
LogP6.11
Rot. Bonds7

About 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene

1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene (PubChem CID 170842005) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
PubChem CID170842005
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene
SMILESC/C=C/COc1ccc(C2CCC(CCCC)CC2)cc1
InChIInChI=1S/C20H30O/c1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-6-4-2/h4,6,12-15,17-18H,3,5,7-11,16H2,1-2H3/b6-4+
InChIKeyZEFMFGDVTUMDHX-GQCTYLIASA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128
2-butyl-6-[4-(4-prop-2-enoxyphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866150
2-[2-(4-butylcyclohexyl)ethyl]-6-(4-prop-2-enoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837065
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1,9-bis[4-(4-butoxyphenyl)cyclohexyl]nonan-5-one
CID 70444369
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene?
The IUPAC name of 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene (CID 170842005) is 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene is C/C=C/COc1ccc(C2CCC(CCCC)CC2)cc1.
What is the InChIKey of 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene?
The InChIKey is ZEFMFGDVTUMDHX-GQCTYLIASA-N. The full InChI is InChI=1S/C20H30O/c1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-6-4-2/h4,6,12-15,17-18H,3,5,7-11,16H2,1-2H3/b6-4+.
What are the key properties of 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene?
1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene has a molecular weight of 286.46 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-4-(4-butylcyclohexyl)benzene is sourced from PubChem (CID 170842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).