4-butoxy-1-(4-propylcyclohexyl)cyclohexene

C19H34O — CID 139714691

IUPAC4-butoxy-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCCOC1CC=C(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11,16-17,19H,3-10,12-15H2,1-2H3
InChIKeyYLUJDLMVMZQJCN-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.89
Rot. Bonds7

About 4-butoxy-1-(4-propylcyclohexyl)cyclohexene

4-butoxy-1-(4-propylcyclohexyl)cyclohexene (PubChem CID 139714691) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-butoxy-1-(4-propylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name4-butoxy-1-(4-propylcyclohexyl)cyclohexene
PubChem CID139714691
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-butoxy-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCCOC1CC=C(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11,16-17,19H,3-10,12-15H2,1-2H3
InChIKeyYLUJDLMVMZQJCN-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.89
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

[4-[4-(4-propylcyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl] 2,2,3,3,3-pentafluoropropanoate
CID 20615145
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
1-[2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-propoxycyclohexen-1-yl)benzene
CID 89430015
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
1-butoxy-4-[4-[2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorobenzene
CID 89429702
5-[difluoro-[4-[4-(4-propylcyclohexyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene
CID 122578044
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
1-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098
1-heptyl-4-[4-[3-(4-nonylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739262
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829
pentakis(4-[2-(4-butoxycyclohexyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376193

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-(4-propylcyclohexyl)cyclohexene?
The IUPAC name of 4-butoxy-1-(4-propylcyclohexyl)cyclohexene (CID 139714691) is 4-butoxy-1-(4-propylcyclohexyl)cyclohexene.
What is the SMILES notation for 4-butoxy-1-(4-propylcyclohexyl)cyclohexene?
The canonical SMILES for 4-butoxy-1-(4-propylcyclohexyl)cyclohexene is CCCCOC1CC=C(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 4-butoxy-1-(4-propylcyclohexyl)cyclohexene?
The InChIKey is YLUJDLMVMZQJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11,16-17,19H,3-10,12-15H2,1-2H3.
What are the key properties of 4-butoxy-1-(4-propylcyclohexyl)cyclohexene?
4-butoxy-1-(4-propylcyclohexyl)cyclohexene has a molecular weight of 278.48 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-(4-propylcyclohexyl)cyclohexene is sourced from PubChem (CID 139714691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).