2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane

C22H35FO — CID 134447490

IUPAC2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane
SMILESC=C/C(=C(F)\C(=C/C)C1CCC(C2CCCCC2)OC1)C(C)CC
InChIInChI=1S/C22H35FO/c1-5-16(4)19(6-2)22(23)20(7-3)18-13-14-21(24-15-18)17-11-9-8-10-12-17/h6-7,16-18,21H,2,5,8-15H2,1,3-4H3/b20-7-,22-19-
InChIKeyZEPTXUHAWJVKPO-LIBKOOGFSA-N
MW334.52 g/mol
LogP6.76
Rot. Bonds6

About 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane

2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane (PubChem CID 134447490) has the molecular formula C22H35FO and a molecular weight of 334.52 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane.

Molecular Properties

Compound Name2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane
PubChem CID134447490
Molecular FormulaC22H35FO
Molecular Weight334.52 g/mol
Exact Mass334.27
IUPAC Name2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane
SMILESC=C/C(=C(F)\C(=C/C)C1CCC(C2CCCCC2)OC1)C(C)CC
InChIInChI=1S/C22H35FO/c1-5-16(4)19(6-2)22(23)20(7-3)18-13-14-21(24-15-18)17-11-9-8-10-12-17/h6-7,16-18,21H,2,5,8-15H2,1,3-4H3/b20-7-,22-19-
InChIKeyZEPTXUHAWJVKPO-LIBKOOGFSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.52
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane?
The IUPAC name of 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane (CID 134447490) is 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane.
What is the SMILES notation for 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane?
The canonical SMILES for 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane is C=C/C(=C(F)\C(=C/C)C1CCC(C2CCCCC2)OC1)C(C)CC.
What is the InChIKey of 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane?
The InChIKey is ZEPTXUHAWJVKPO-LIBKOOGFSA-N. The full InChI is InChI=1S/C22H35FO/c1-5-16(4)19(6-2)22(23)20(7-3)18-13-14-21(24-15-18)17-11-9-8-10-12-17/h6-7,16-18,21H,2,5,8-15H2,1,3-4H3/b20-7-,22-19-.
What are the key properties of 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane?
2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane has a molecular weight of 334.52 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane is sourced from PubChem (CID 134447490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).