1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane

C23H40 — CID 19070206

IUPAC1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(CC/C=C/C2CCC(CC)CC2)CC1
InChIInChI=1S/C23H40/c1-3-5-6-9-21-16-18-23(19-17-21)11-8-7-10-22-14-12-20(4-2)13-15-22/h3,5,7,10,20-23H,4,6,8-9,11-19H2,1-2H3/b5-3+,10-7+
InChIKeyKFNRUZKSWLQFDK-RVAGFXNCSA-N
MW316.57 g/mol
LogP7.70
Rot. Bonds8

About 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane

1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane (PubChem CID 19070206) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
PubChem CID19070206
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(CC/C=C/C2CCC(CC)CC2)CC1
InChIInChI=1S/C23H40/c1-3-5-6-9-21-16-18-23(19-17-21)11-8-7-10-22-14-12-20(4-2)13-15-22/h3,5,7,10,20-23H,4,6,8-9,11-19H2,1-2H3/b5-3+,10-7+
InChIKeyKFNRUZKSWLQFDK-RVAGFXNCSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.70
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

1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane (CID 19070206) is 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane is C/C=C/CCC1CCC(CC/C=C/C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane?
The InChIKey is KFNRUZKSWLQFDK-RVAGFXNCSA-N. The full InChI is InChI=1S/C23H40/c1-3-5-6-9-21-16-18-23(19-17-21)11-8-7-10-22-14-12-20(4-2)13-15-22/h3,5,7,10,20-23H,4,6,8-9,11-19H2,1-2H3/b5-3+,10-7+.
What are the key properties of 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane?
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane has a molecular weight of 316.57 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane is sourced from PubChem (CID 19070206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).