1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane

C23H42 — CID 173321261

IUPAC1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
SMILESCCCCC1CCC(/C(C)=C(/C)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H42/c1-5-7-9-21-12-16-23(17-13-21)19(4)18(3)22-14-10-20(8-6-2)11-15-22/h20-23H,5-17H2,1-4H3/b19-18-
InChIKeyJCYOESBCNLNNIE-HNENSFHCSA-N
MW318.59 g/mol
LogP7.93
Rot. Bonds7

About 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane

1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane (PubChem CID 173321261) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
PubChem CID173321261
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
SMILESCCCCC1CCC(/C(C)=C(/C)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H42/c1-5-7-9-21-12-16-23(17-13-21)19(4)18(3)22-14-10-20(8-6-2)11-15-22/h20-23H,5-17H2,1-4H3/b19-18-
InChIKeyJCYOESBCNLNNIE-HNENSFHCSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dipropylcyclohexane;pentane
CID 90867354
1-butyl-4-propylcyclononane
CID 123467552
1-(4-pentylcyclohexyl)ethanone
CID 13278013
2-(4-butylcyclohexyl)ethanol
CID 15085164
hexane;pentylcyclopropane
CID 159592467
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
CID 156858767
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane?
The IUPAC name of 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane (CID 173321261) is 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane?
The canonical SMILES for 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane is CCCCC1CCC(/C(C)=C(/C)C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane?
The InChIKey is JCYOESBCNLNNIE-HNENSFHCSA-N. The full InChI is InChI=1S/C23H42/c1-5-7-9-21-12-16-23(17-13-21)19(4)18(3)22-14-10-20(8-6-2)11-15-22/h20-23H,5-17H2,1-4H3/b19-18-.
What are the key properties of 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane?
1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane is sourced from PubChem (CID 173321261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).