1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane

C138H256 — CID 159199082

IUPAC1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
SMILESC/C=C/C1CCC(CCC)CC1.C/C=C/C1CCC(CCCC)CC1.C/C=C/C1CCC(CCCCC)CC1.C/C=C/C1CCC(CCCCCC)CC1.C/C=C/C1CCC(CCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C19H36.C18H34.C17H32.C16H30.C15H28.C14H26.C14H24.C13H24.C12H22/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19;1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18;1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17;1-3-5-6-7-8-10-16-13-11-15(9-4-2)12-14-16;1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15;2*1-3-5-6-8-14-11-9-13(7-4-2)10-12-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-5-11-7-9-12(6-4-2)10-8-11/h4,12,18-19H,3,5-11,13-17H2,1-2H3;4,11,17-18H,3,5-10,12-16H2,1-2H3;4,10,16-17H,3,5-9,11-15H2,1-2H3;4,9,15-16H,3,5-8,10-14H2,1-2H3;4,8,14-15H,3,5-7,9-13H2,1-2H3;4,7,13-14H,3,5-6,8-12H2,1-2H3;3-5,7,13-14H,6,8-12H2,1-2H3;4,6,12-13H,3,5,7-11H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3/b12-4+;11-4+;10-4+;9-4+;8-4+;7-4+;5-3+,7-4+;6-4+;5-3+
InChIKeyKPAVJCHRHQWOCV-TYFOADQRSA-N
MW1915.57 g/mol
LogP49.00
Rot. Bonds56

About 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane

1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane (PubChem CID 159199082) has the molecular formula C138H256 and a molecular weight of 1915.57 g/mol. Its IUPAC name is 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
PubChem CID159199082
Molecular FormulaC138H256
Molecular Weight1915.57 g/mol
Exact Mass1914.00
IUPAC Name1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
SMILESC/C=C/C1CCC(CCC)CC1.C/C=C/C1CCC(CCCC)CC1.C/C=C/C1CCC(CCCCC)CC1.C/C=C/C1CCC(CCCCCC)CC1.C/C=C/C1CCC(CCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C19H36.C18H34.C17H32.C16H30.C15H28.C14H26.C14H24.C13H24.C12H22/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19;1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18;1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17;1-3-5-6-7-8-10-16-13-11-15(9-4-2)12-14-16;1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15;2*1-3-5-6-8-14-11-9-13(7-4-2)10-12-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-5-11-7-9-12(6-4-2)10-8-11/h4,12,18-19H,3,5-11,13-17H2,1-2H3;4,11,17-18H,3,5-10,12-16H2,1-2H3;4,10,16-17H,3,5-9,11-15H2,1-2H3;4,9,15-16H,3,5-8,10-14H2,1-2H3;4,8,14-15H,3,5-7,9-13H2,1-2H3;4,7,13-14H,3,5-6,8-12H2,1-2H3;3-5,7,13-14H,6,8-12H2,1-2H3;4,6,12-13H,3,5,7-11H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3/b12-4+;11-4+;10-4+;9-4+;8-4+;7-4+;5-3+,7-4+;6-4+;5-3+
InChIKeyKPAVJCHRHQWOCV-TYFOADQRSA-N
XLogP49.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms138
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001915.57
LogP ≤ 549.00
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'}

Analyze 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane?
The IUPAC name of 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane (CID 159199082) is 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane.
What is the SMILES notation for 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane?
The canonical SMILES for 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane is C/C=C/C1CCC(CCC)CC1.C/C=C/C1CCC(CCCC)CC1.C/C=C/C1CCC(CCCCC)CC1.C/C=C/C1CCC(CCCCCC)CC1.C/C=C/C1CCC(CCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/C)CC1.
What is the InChIKey of 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane?
The InChIKey is KPAVJCHRHQWOCV-TYFOADQRSA-N. The full InChI is InChI=1S/C19H36.C18H34.C17H32.C16H30.C15H28.C14H26.C14H24.C13H24.C12H22/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19;1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18;1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17;1-3-5-6-7-8-10-16-13-11-15(9-4-2)12-14-16;1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15;2*1-3-5-6-8-14-11-9-13(7-4-2)10-12-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-5-11-7-9-12(6-4-2)10-8-11/h4,12,18-19H,3,5-11,13-17H2,1-2H3;4,11,17-18H,3,5-10,12-16H2,1-2H3;4,10,16-17H,3,5-9,11-15H2,1-2H3;4,9,15-16H,3,5-8,10-14H2,1-2H3;4,8,14-15H,3,5-7,9-13H2,1-2H3;4,7,13-14H,3,5-6,8-12H2,1-2H3;3-5,7,13-14H,6,8-12H2,1-2H3;4,6,12-13H,3,5,7-11H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3/b12-4+;11-4+;10-4+;9-4+;8-4+;7-4+;5-3+,7-4+;6-4+;5-3+.
What are the key properties of 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane?
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane has a molecular weight of 1915.57 g/mol, XLogP of 49.00, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane is sourced from PubChem (CID 159199082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).