1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane

C24H42O — CID 67863865

IUPAC1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OC=CCCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3
InChIKeyQULVKZGEFVRJTP-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.82
Rot. Bonds11

About 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane

1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane (PubChem CID 67863865) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane
PubChem CID67863865
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OC=CCCCC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3
InChIKeyQULVKZGEFVRJTP-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane
CID 67864133
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
1-but-3-enyl-4-[2-[4-[(Z)-pent-3-enoxy]cyclohexyl]ethyl]cyclohexane
CID 67864631
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
CID 57154676
1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane
CID 162085177
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane
CID 67863833
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
CID 140650697
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane
CID 159275982

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane (CID 67863865) is 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane is C=CCCC1CCC(CCC2CCC(OC=CCCCC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is QULVKZGEFVRJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-20-25-24-18-16-23(17-19-24)15-14-22-12-10-21(11-13-22)9-6-4-2/h4,8,20-24H,2-3,5-7,9-19H2,1H3.
What are the key properties of 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane?
1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 67863865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).