3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene

C32H40F2O3 — CID 67896027

IUPAC3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene
SMILESC=CC(F)C1CCC(OC=C2C=CC(OC3C=CC(=COC4CCC(C(F)C=C)CC4)C=C3)C=C2)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/h3-8,13-16,21-22,25-32H,1-2,9-12,17-20H2/b23-21-,24-22-
InChIKeyUGQVQCNCGFIJMA-SXAUZNKPSA-N
MW510.67 g/mol
LogP7.96
Rot. Bonds10

About 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene

3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene (PubChem CID 67896027) has the molecular formula C32H40F2O3 and a molecular weight of 510.67 g/mol. Its IUPAC name is 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene.

Molecular Properties

Compound Name3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene
PubChem CID67896027
Molecular FormulaC32H40F2O3
Molecular Weight510.67 g/mol
Exact Mass510.29
IUPAC Name3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene
SMILESC=CC(F)C1CCC(OC=C2C=CC(OC3C=CC(=COC4CCC(C(F)C=C)CC4)C=C3)C=C2)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/h3-8,13-16,21-22,25-32H,1-2,9-12,17-20H2/b23-21-,24-22-
InChIKeyUGQVQCNCGFIJMA-SXAUZNKPSA-N
XLogP7.96
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 ≤ 57.96
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 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene?
The IUPAC name of 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene (CID 67896027) is 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene.
What is the SMILES notation for 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene?
The canonical SMILES for 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene is C=CC(F)C1CCC(OC=C2C=CC(OC3C=CC(=COC4CCC(C(F)C=C)CC4)C=C3)C=C2)CC1.
What is the InChIKey of 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene?
The InChIKey is UGQVQCNCGFIJMA-SXAUZNKPSA-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/h3-8,13-16,21-22,25-32H,1-2,9-12,17-20H2/b23-21-,24-22-.
What are the key properties of 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene?
3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene has a molecular weight of 510.67 g/mol, XLogP of 7.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]-6-[4-[[4-(1-fluoroprop-2-enyl)cyclohexyl]oxymethylidene]cyclohexa-2,5-dien-1-yl]oxycyclohexa-1,4-diene is sourced from PubChem (CID 67896027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).