(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine

C15H23FO — CID 143112825

IUPAC(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine
SMILESC=CC1/C=C(/F)C/C=C\CCOC1(CC)CC
InChIInChI=1S/C15H23FO/c1-4-13-12-14(16)10-8-7-9-11-17-15(13,5-2)6-3/h4,7-8,12-13H,1,5-6,9-11H2,2-3H3/b8-7-,14-12+
InChIKeyOEKCXXWYUCPDEU-SXOVAMJMSA-N
MW238.35 g/mol
LogP4.57
Rot. Bonds3

About (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine

(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine (PubChem CID 143112825) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine.

Molecular Properties

Compound Name(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine
PubChem CID143112825
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine
SMILESC=CC1/C=C(/F)C/C=C\CCOC1(CC)CC
InChIInChI=1S/C15H23FO/c1-4-13-12-14(16)10-8-7-9-11-17-15(13,5-2)6-3/h4,7-8,12-13H,1,5-6,9-11H2,2-3H3/b8-7-,14-12+
InChIKeyOEKCXXWYUCPDEU-SXOVAMJMSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Fluoroethoxy)-4,5-dimethylhept-2-ene
CID 123729444
4-Methoxy-4-propan-2-ylcyclopentene
CID 23385037
(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane
CID 177186735
2-Methyl-2-(propan-2-yl)-3-(prop-1-en-1-yl)oxetane
CID 71384243

Frequently Asked Questions

What is the IUPAC name of (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine?
The IUPAC name of (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine (CID 143112825) is (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine.
What is the SMILES notation for (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine?
The canonical SMILES for (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine is C=CC1/C=C(/F)C/C=C\CCOC1(CC)CC.
What is the InChIKey of (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine?
The InChIKey is OEKCXXWYUCPDEU-SXOVAMJMSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-13-12-14(16)10-8-7-9-11-17-15(13,5-2)6-3/h4,7-8,12-13H,1,5-6,9-11H2,2-3H3/b8-7-,14-12+.
What are the key properties of (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine?
(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine has a molecular weight of 238.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine is sourced from PubChem (CID 143112825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).