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

C23H42 — CID 19070114

IUPAC1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C/CCC1CCC(CCCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C23H42/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/h3,5,20-23H,4,6-19H2,1-2H3/b5-3+
InChIKeyYDDOUJRONXDXHF-HWKANZROSA-N
MW318.59 g/mol
LogP7.93
Rot. Bonds9

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

1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane (PubChem CID 19070114) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
PubChem CID19070114
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C/CCC1CCC(CCCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C23H42/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/h3,5,20-23H,4,6-19H2,1-2H3/b5-3+
InChIKeyYDDOUJRONXDXHF-HWKANZROSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.93
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane (CID 19070114) is 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane is C/C=C/CCC1CCC(CCCCC2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane?
The InChIKey is YDDOUJRONXDXHF-HWKANZROSA-N. The full InChI is InChI=1S/C23H42/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/h3,5,20-23H,4,6-19H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane?
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane is sourced from PubChem (CID 19070114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).