1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane

C24H44O — CID 67864187

IUPAC1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
SMILESCCCCCCC1CCC(/C=C/COC2CCC(CCC)CC2)CC1
InChIInChI=1S/C24H44O/c1-3-5-6-7-10-22-12-14-23(15-13-22)11-8-20-25-24-18-16-21(9-4-2)17-19-24/h8,11,21-24H,3-7,9-10,12-20H2,1-2H3/b11-8+
InChIKeyUNUMCPRYFVMELD-DHZHZOJOSA-N
MW348.62 g/mol
LogP7.69
Rot. Bonds11

About 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane

1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane (PubChem CID 67864187) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
PubChem CID67864187
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
SMILESCCCCCCC1CCC(/C=C/COC2CCC(CCC)CC2)CC1
InChIInChI=1S/C24H44O/c1-3-5-6-7-10-22-12-14-23(15-13-22)11-8-20-25-24-18-16-21(9-4-2)17-19-24/h8,11,21-24H,3-7,9-10,12-20H2,1-2H3/b11-8+
InChIKeyUNUMCPRYFVMELD-DHZHZOJOSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
CID 67946262
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
1-[(E)-but-1-enyl]-4-[2-(4-pentoxycyclohexyl)ethyl]cyclohexane
CID 19380357
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
CID 57154676
1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
CID 57274061
1-heptyl-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane
CID 18689101
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
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane?
The IUPAC name of 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane (CID 67864187) is 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane.
What is the SMILES notation for 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane?
The canonical SMILES for 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane is CCCCCCC1CCC(/C=C/COC2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane?
The InChIKey is UNUMCPRYFVMELD-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H44O/c1-3-5-6-7-10-22-12-14-23(15-13-22)11-8-20-25-24-18-16-21(9-4-2)17-19-24/h8,11,21-24H,3-7,9-10,12-20H2,1-2H3/b11-8+.
What are the key properties of 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane?
1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane has a molecular weight of 348.62 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane is sourced from PubChem (CID 67864187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).