5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

C15H23FO — CID 57133678

IUPAC5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESC=CCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C15H23FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,8,12-13,15H,1,3-7,9-11H2
InChIKeyMCADYSBIDNBZAF-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.40
Rot. Bonds4

About 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (PubChem CID 57133678) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.

Molecular Properties

Compound Name5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
PubChem CID57133678
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESC=CCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C15H23FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,8,12-13,15H,1,3-7,9-11H2
InChIKeyMCADYSBIDNBZAF-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,4a,5,8,8a-hexahydro-2H-chromene
CID 19104624
1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
4-[(E)-7-fluorohept-3-enyl]-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 19695409
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686
5-[4-(2,2-difluoroethenyl)cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599921
4-(7-Fluorohept-3-enyl)-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 53775158
6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
CID 54020045
1-Ethoxy-4-[2-[4-(5-fluoropent-1-enyl)cyclohexyl]ethyl]cyclohexane
CID 54137057
2,2-Difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
CID 54430411
1-But-3-enyl-4-(2-cyclohexyloxy-1-fluoroethyl)cyclohexane
CID 57006729
5-Butyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
CID 57009832

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The IUPAC name of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (CID 57133678) is 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.
What is the SMILES notation for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The canonical SMILES for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is C=CCCC1CCC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The InChIKey is MCADYSBIDNBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,8,12-13,15H,1,3-7,9-11H2.
What are the key properties of 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane has a molecular weight of 238.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is sourced from PubChem (CID 57133678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).