2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane

C19H26F2O — CID 130281595

IUPAC2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane
SMILESC#CC(F)/C(=C\C=C/CF)C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C19H26F2O/c1-2-18(21)17(10-6-7-13-20)16-11-12-19(22-14-16)15-8-4-3-5-9-15/h1,6-7,10,15-16,18-19H,3-5,8-9,11-14H2/b7-6-,17-10-
InChIKeyMIABPIVYEDJFBZ-IVADJXMLSA-N
MW308.41 g/mol
LogP4.79
Rot. Bonds5

About 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane

2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane (PubChem CID 130281595) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane.

Molecular Properties

Compound Name2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane
PubChem CID130281595
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane
SMILESC#CC(F)/C(=C\C=C/CF)C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C19H26F2O/c1-2-18(21)17(10-6-7-13-20)16-11-12-19(22-14-16)15-8-4-3-5-9-15/h1,6-7,10,15-16,18-19H,3-5,8-9,11-14H2/b7-6-,17-10-
InChIKeyMIABPIVYEDJFBZ-IVADJXMLSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane?
The IUPAC name of 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane (CID 130281595) is 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane.
What is the SMILES notation for 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane?
The canonical SMILES for 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane is C#CC(F)/C(=C\C=C/CF)C1CCC(C2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane?
The InChIKey is MIABPIVYEDJFBZ-IVADJXMLSA-N. The full InChI is InChI=1S/C19H26F2O/c1-2-18(21)17(10-6-7-13-20)16-11-12-19(22-14-16)15-8-4-3-5-9-15/h1,6-7,10,15-16,18-19H,3-5,8-9,11-14H2/b7-6-,17-10-.
What are the key properties of 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane?
2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane has a molecular weight of 308.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(4Z,6Z)-3,8-difluoroocta-4,6-dien-1-yn-4-yl]oxane is sourced from PubChem (CID 130281595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).