5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene

C32H40F2O3 — CID 67896031

IUPAC5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene
SMILESC=CC(F)C1CCC(OC=C2C=CC(OC3=CCC(=COC4CCC(C(F)C=C)CC4)C=C3)=CC2)CC1
InChIInChI=1S/C32H40F2O3/c1-3-31(33)25-9-17-27(18-10-25)35-21-23-5-13-29(14-6-23)37-30-15-7-24(8-16-30)22-36-28-19-11-26(12-20-28)32(34)4-2/h3-5,7,13-16,21-22,25-28,31-32H,1-2,6,8-12,17-20H2
InChIKeyYIOTVBFUHAJNOS-UHFFFAOYSA-N
MW510.67 g/mol
LogP8.66
Rot. Bonds10

About 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene

5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene (PubChem CID 67896031) has the molecular formula C32H40F2O3 and a molecular weight of 510.67 g/mol. Its IUPAC name is 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene
PubChem CID67896031
Molecular FormulaC32H40F2O3
Molecular Weight510.67 g/mol
Exact Mass510.29
IUPAC Name5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene
SMILESC=CC(F)C1CCC(OC=C2C=CC(OC3=CCC(=COC4CCC(C(F)C=C)CC4)C=C3)=CC2)CC1
InChIInChI=1S/C32H40F2O3/c1-3-31(33)25-9-17-27(18-10-25)35-21-23-5-13-29(14-6-23)37-30-15-7-24(8-16-30)22-36-28-19-11-26(12-20-28)32(34)4-2/h3-5,7,13-16,21-22,25-28,31-32H,1-2,6,8-12,17-20H2
InChIKeyYIOTVBFUHAJNOS-UHFFFAOYSA-N
XLogP8.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene?
The IUPAC name of 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene (CID 67896031) is 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene.
What is the SMILES notation for 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene?
The canonical SMILES for 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene is C=CC(F)C1CCC(OC=C2C=CC(OC3=CCC(=COC4CCC(C(F)C=C)CC4)C=C3)=CC2)CC1.
What is the InChIKey of 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene?
The InChIKey is YIOTVBFUHAJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2O3/c1-3-31(33)25-9-17-27(18-10-25)35-21-23-5-13-29(14-6-23)37-30-15-7-24(8-16-30)22-36-28-19-11-26(12-20-28)32(34)4-2/h3-5,7,13-16,21-22,25-28,31-32H,1-2,6,8-12,17-20H2.
What are the key properties of 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene?
5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene has a molecular weight of 510.67 g/mol, XLogP of 8.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-2-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene is sourced from PubChem (CID 67896031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).