1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane

C22H40 — CID 173282196

IUPAC1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
SMILESCC/C=C/C1CCCCC1CCCCC1CCC(CC)CC1
InChIInChI=1S/C22H40/c1-3-5-11-21-13-8-9-14-22(21)12-7-6-10-20-17-15-19(4-2)16-18-20/h5,11,19-22H,3-4,6-10,12-18H2,1-2H3/b11-5+
InChIKeyBEVMPBYTHVMHHJ-VZUCSPMQSA-N
MW304.56 g/mol
LogP7.54
Rot. Bonds8

About 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane

1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane (PubChem CID 173282196) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
PubChem CID173282196
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
SMILESCC/C=C/C1CCCCC1CCCCC1CCC(CC)CC1
InChIInChI=1S/C22H40/c1-3-5-11-21-13-8-9-14-22(21)12-7-6-10-20-17-15-19(4-2)16-18-20/h5,11,19-22H,3-4,6-10,12-18H2,1-2H3/b11-5+
InChIKeyBEVMPBYTHVMHHJ-VZUCSPMQSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
1-but-2-enyl-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 56983948
methyl 7-[(1S,2S)-2-but-1-enylcyclopentyl]heptanoate
CID 57038707
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-(4-bromobut-1-enyl)-2-ethylcyclohexane
CID 115278636
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-ethyl-2-[(Z)-prop-1-enyl]cyclohexane
CID 59840791

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane?
The IUPAC name of 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane (CID 173282196) is 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane?
The canonical SMILES for 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane is CC/C=C/C1CCCCC1CCCCC1CCC(CC)CC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane?
The InChIKey is BEVMPBYTHVMHHJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-11-21-13-8-9-14-22(21)12-7-6-10-20-17-15-19(4-2)16-18-20/h5,11,19-22H,3-4,6-10,12-18H2,1-2H3/b11-5+.
What are the key properties of 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane?
1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane is sourced from PubChem (CID 173282196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).