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

C24H42 — CID 173281918

IUPAC1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C\C1CCCC(CCCCC2CCC(CC/C=C/C)CC2)C1
InChIInChI=1S/C24H42/c1-3-5-6-11-21-16-18-22(19-17-21)12-7-8-13-24-15-9-14-23(20-24)10-4-2/h3-5,10,21-24H,6-9,11-20H2,1-2H3/b5-3+,10-4-
InChIKeyCHUNKSBPJVJWKP-DMXZVYFZSA-N
MW330.60 g/mol
LogP8.09
Rot. Bonds9

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

1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane (PubChem CID 173281918) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane
PubChem CID173281918
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C\C1CCCC(CCCCC2CCC(CC/C=C/C)CC2)C1
InChIInChI=1S/C24H42/c1-3-5-6-11-21-16-18-22(19-17-21)12-7-8-13-24-15-9-14-23(20-24)10-4-2/h3-5,10,21-24H,6-9,11-20H2,1-2H3/b5-3+,10-4-
InChIKeyCHUNKSBPJVJWKP-DMXZVYFZSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.09
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-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane?
The IUPAC name of 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane (CID 173281918) is 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane?
The canonical SMILES for 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane is C/C=C\C1CCCC(CCCCC2CCC(CC/C=C/C)CC2)C1.
What is the InChIKey of 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane?
The InChIKey is CHUNKSBPJVJWKP-DMXZVYFZSA-N. The full InChI is InChI=1S/C24H42/c1-3-5-6-11-21-16-18-22(19-17-21)12-7-8-13-24-15-9-14-23(20-24)10-4-2/h3-5,10,21-24H,6-9,11-20H2,1-2H3/b5-3+,10-4-.
What are the key properties of 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane?
1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane has a molecular weight of 330.60 g/mol, XLogP of 8.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]-4-[4-[3-[(Z)-prop-1-enyl]cyclohexyl]butyl]cyclohexane is sourced from PubChem (CID 173281918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).