(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene

C15H30FO3P — CID 101149178

IUPAC(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
SMILESCCOP(=O)(OCC)C(F)CC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H30FO3P/c1-6-18-20(17,19-7-2)15(16)12-11-14(5)10-8-9-13(3)4/h9,14-15H,6-8,10-12H2,1-5H3/t14-,15?/m0/s1
InChIKeyZGRNHRBEIVWDGG-MLCCFXAWSA-N
MW308.37 g/mol
LogP5.71
Rot. Bonds11

About (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene

(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene (PubChem CID 101149178) has the molecular formula C15H30FO3P and a molecular weight of 308.37 g/mol. Its IUPAC name is (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene.

Molecular Properties

Compound Name(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
PubChem CID101149178
Molecular FormulaC15H30FO3P
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC Name(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
SMILESCCOP(=O)(OCC)C(F)CC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H30FO3P/c1-6-18-20(17,19-7-2)15(16)12-11-14(5)10-8-9-13(3)4/h9,14-15H,6-8,10-12H2,1-5H3/t14-,15?/m0/s1
InChIKeyZGRNHRBEIVWDGG-MLCCFXAWSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
Diethyl (R)-(1,1-difluoro-3-(4-methylcyclohex-3-en-1-yl)but-3-en-1-yl)phosphonate
CID 168720251
CID 58971978
CID 58971978
CID 89333315
CID 89333315
Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
CID 277402
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E)-1-diethoxyphosphoryl-2-methyloct-2-ene
CID 134895038
9,9-Bis(diethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930337
9,9-Bis(dimethoxyphosphoryl)-2,6-dimethylnon-2-ene
CID 134930338
(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11120179

Frequently Asked Questions

What is the IUPAC name of (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene?
The IUPAC name of (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene (CID 101149178) is (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene.
What is the SMILES notation for (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene?
The canonical SMILES for (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene is CCOP(=O)(OCC)C(F)CC[C@@H](C)CCC=C(C)C.
What is the InChIKey of (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene?
The InChIKey is ZGRNHRBEIVWDGG-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H30FO3P/c1-6-18-20(17,19-7-2)15(16)12-11-14(5)10-8-9-13(3)4/h9,14-15H,6-8,10-12H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene?
(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene has a molecular weight of 308.37 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene is sourced from PubChem (CID 101149178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).