4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane

C17H27FO — CID 143270762

IUPAC4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
SMILESC/C=C(CC)\C(=C/C(=C(\C)F)C1CCOCC1)CC
InChIInChI=1S/C17H27FO/c1-5-14(6-2)15(7-3)12-17(13(4)18)16-8-10-19-11-9-16/h5,12,16H,6-11H2,1-4H3/b14-5-,15-12-,17-13-
InChIKeyBICGDZZTAVYHLL-STGYSXIXSA-N
MW266.40 g/mol
LogP5.35
Rot. Bonds5

About 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane

4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane (PubChem CID 143270762) has the molecular formula C17H27FO and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane.

Molecular Properties

Compound Name4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
PubChem CID143270762
Molecular FormulaC17H27FO
Molecular Weight266.40 g/mol
Exact Mass266.20
IUPAC Name4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
SMILESC/C=C(CC)\C(=C/C(=C(\C)F)C1CCOCC1)CC
InChIInChI=1S/C17H27FO/c1-5-14(6-2)15(7-3)12-17(13(4)18)16-8-10-19-11-9-16/h5,12,16H,6-11H2,1-4H3/b14-5-,15-12-,17-13-
InChIKeyBICGDZZTAVYHLL-STGYSXIXSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane with MolForge

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Related Compounds

1-Fluoro-3-(2-methyl-4-octoxybutyl)cyclohexa-1,3-diene
CID 23035035
(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
CID 88905328
3-(2-Fluoropent-2-enyl)-4-methyloxane
CID 124035222
3-Fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 129180369
3-Fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
CID 146550843
3-(2-Fluoropropan-2-yl)-1-(2-methoxyethyl)cyclohexa-1,3-diene
CID 166967552
4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
CID 167014378
(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
CID 142823394
3-Fluoro-5-methyl-2-(2-methylidene-4-propoxybutyl)cyclohexa-1,3-diene
CID 142961165
4-Methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene
CID 57315846
3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane
CID 58718712
4-(Ethoxymethyl)-3-methylidenecyclohexene
CID 89032078

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane?
The IUPAC name of 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane (CID 143270762) is 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane.
What is the SMILES notation for 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane?
The canonical SMILES for 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane is C/C=C(CC)\C(=C/C(=C(\C)F)C1CCOCC1)CC.
What is the InChIKey of 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane?
The InChIKey is BICGDZZTAVYHLL-STGYSXIXSA-N. The full InChI is InChI=1S/C17H27FO/c1-5-14(6-2)15(7-3)12-17(13(4)18)16-8-10-19-11-9-16/h5,12,16H,6-11H2,1-4H3/b14-5-,15-12-,17-13-.
What are the key properties of 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane?
4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane has a molecular weight of 266.40 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane is sourced from PubChem (CID 143270762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).