1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene

C19H26 — CID 161061804

IUPAC1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
SMILESC=CCCc1ccc(C2CCC(/C=C/C)CC2)cc1
InChIInChI=1S/C19H26/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,6,10-11,14-16,18H,1,5,7-9,12-13H2,2H3/b6-4+
InChIKeyFJFIZQVDBLTTSS-GQCTYLIASA-N
MW254.42 g/mol
LogP5.66
Rot. Bonds5

About 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene

1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene (PubChem CID 161061804) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
PubChem CID161061804
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
SMILESC=CCCc1ccc(C2CCC(/C=C/C)CC2)cc1
InChIInChI=1S/C19H26/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,6,10-11,14-16,18H,1,5,7-9,12-13H2,2H3/b6-4+
InChIKeyFJFIZQVDBLTTSS-GQCTYLIASA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
1-(pent-4-enoxymethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]benzene
CID 67677311
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723
1-(pent-3-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)benzene
CID 54403576
1-(pent-3-enoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 67677295
1-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634
1-(but-3-enoxymethyl)-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]phenyl]benzene
CID 67677298
1-[4-[(E)-2-[4-(4-but-3-enylphenyl)cyclohexyl]ethenyl]cyclohexyl]-4-butoxy-2,3-difluorobenzene
CID 154607293

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene?
The IUPAC name of 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene (CID 161061804) is 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene is C=CCCc1ccc(C2CCC(/C=C/C)CC2)cc1.
What is the InChIKey of 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene?
The InChIKey is FJFIZQVDBLTTSS-GQCTYLIASA-N. The full InChI is InChI=1S/C19H26/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,6,10-11,14-16,18H,1,5,7-9,12-13H2,2H3/b6-4+.
What are the key properties of 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene?
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene has a molecular weight of 254.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene is sourced from PubChem (CID 161061804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).