2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene

C16H21FO2 — CID 138714897

IUPAC2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene
SMILESC/C=C(/C=C/COCC1=CCCC=C1F)OC1CC1
InChIInChI=1S/C16H21FO2/c1-2-14(19-15-9-10-15)7-5-11-18-12-13-6-3-4-8-16(13)17/h2,5-8,15H,3-4,9-12H2,1H3/b7-5+,14-2-
InChIKeyKCYHEAGEWGMNMM-HVHHZBGASA-N
MW264.34 g/mol
LogP4.22
Rot. Bonds7

About 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene

2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene (PubChem CID 138714897) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene
PubChem CID138714897
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene
SMILESC/C=C(/C=C/COCC1=CCCC=C1F)OC1CC1
InChIInChI=1S/C16H21FO2/c1-2-14(19-15-9-10-15)7-5-11-18-12-13-6-3-4-8-16(13)17/h2,5-8,15H,3-4,9-12H2,1H3/b7-5+,14-2-
InChIKeyKCYHEAGEWGMNMM-HVHHZBGASA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene (CID 138714897) is 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene is C/C=C(/C=C/COCC1=CCCC=C1F)OC1CC1.
What is the InChIKey of 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene?
The InChIKey is KCYHEAGEWGMNMM-HVHHZBGASA-N. The full InChI is InChI=1S/C16H21FO2/c1-2-14(19-15-9-10-15)7-5-11-18-12-13-6-3-4-8-16(13)17/h2,5-8,15H,3-4,9-12H2,1H3/b7-5+,14-2-.
What are the key properties of 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene?
2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene has a molecular weight of 264.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-4-cyclopropyloxyhexa-2,4-dienoxy]methyl]-3-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 138714897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).