1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane

C19H32 — CID 22915763

IUPAC1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESC=C/C=C/C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3,5,7,16-19H,1,4,6,8-15H2,2H3/b7-5+
InChIKeyLTGVYOZHTNJGIR-FNORWQNLSA-N
MW260.46 g/mol
LogP6.14
Rot. Bonds5

About 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane

1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 22915763) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID22915763
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESC=C/C=C/C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3,5,7,16-19H,1,4,6,8-15H2,2H3/b7-5+
InChIKeyLTGVYOZHTNJGIR-FNORWQNLSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.14
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

1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane (CID 22915763) is 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane is C=C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is LTGVYOZHTNJGIR-FNORWQNLSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3,5,7,16-19H,1,4,6,8-15H2,2H3/b7-5+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 260.46 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 22915763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).