[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate

C11H17FO4 — CID 134813852

IUPAC[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=O)CCCCCF
InChIInChI=1S/C11H17FO4/c1-15-11(14)16-9-5-7-10(13)6-3-2-4-8-12/h5,7H,2-4,6,8-9H2,1H3/b7-5+
InChIKeyZQKLWCAXIXZIGK-FNORWQNLSA-N
MW232.25 g/mol
LogP2.42
Rot. Bonds8

About [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate

[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate (PubChem CID 134813852) has the molecular formula C11H17FO4 and a molecular weight of 232.25 g/mol. Its IUPAC name is [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate
PubChem CID134813852
Molecular FormulaC11H17FO4
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=O)CCCCCF
InChIInChI=1S/C11H17FO4/c1-15-11(14)16-9-5-7-10(13)6-3-2-4-8-12/h5,7H,2-4,6,8-9H2,1H3/b7-5+
InChIKeyZQKLWCAXIXZIGK-FNORWQNLSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-8,8,9,9,10,10,10-Heptafluoro-4-oxodec-2-en-1-yl methyl carbonate
CID 134813843
(E)-methyl (4-oxonon-2-en-1-yl) carbonate
CID 134813831
(E)-methyl (8-methyl-4-oxonon-2-en-1-yl) carbonate
CID 134813854
(E)-methyl (4-oxonona-2,8-dien-1-yl) carbonate
CID 134813867
methyl [(2E,7Z)-9-oxodeca-2,7-dienyl] carbonate
CID 134897234
(E)-8-Oxo-non-2-enoic acid ethyl ester
CID 11615360
Methyl 8-oxo-cis-2-nonenoate
CID 5372613
methyl [(E)-3-methyl-5-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pent-2-enyl] carbonate
CID 19819058
Methyl [3-methyl-5-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pent-2-enyl] carbonate
CID 67900682
Methoxycarbonyl 6-oxopentadeca-2,4-dienoate
CID 174627632
Methyl 8-oxonon-2-enoate
CID 587965
methyl (2E)-8-oxo-2-nonenoate
CID 6537021

Frequently Asked Questions

What is the IUPAC name of [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate?
The IUPAC name of [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate (CID 134813852) is [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate is COC(=O)OC/C=C/C(=O)CCCCCF.
What is the InChIKey of [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate?
The InChIKey is ZQKLWCAXIXZIGK-FNORWQNLSA-N. The full InChI is InChI=1S/C11H17FO4/c1-15-11(14)16-9-5-7-10(13)6-3-2-4-8-12/h5,7H,2-4,6,8-9H2,1H3/b7-5+.
What are the key properties of [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate?
[(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate has a molecular weight of 232.25 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-9-fluoro-4-oxonon-2-enyl] methyl carbonate is sourced from PubChem (CID 134813852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).