methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate

C15H26FO3P — CID 59878783

IUPACmethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate
SMILESCC[C@H]1C(F)CC(OP)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H26FO3P/c1-3-11-12(14(19-20)10-13(11)16)8-6-4-5-7-9-15(17)18-2/h4,6,11-14H,3,5,7-10,20H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1
InChIKeyVINMDKNDIAVXLV-UQPDOETASA-N
MW304.34 g/mol
LogP3.84
Rot. Bonds8

About methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate

methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate (PubChem CID 59878783) has the molecular formula C15H26FO3P and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate
PubChem CID59878783
Molecular FormulaC15H26FO3P
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Namemethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate
SMILESCC[C@H]1C(F)CC(OP)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H26FO3P/c1-3-11-12(14(19-20)10-13(11)16)8-6-4-5-7-9-15(17)18-2/h4,6,11-14H,3,5,7-10,20H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1
InChIKeyVINMDKNDIAVXLV-UQPDOETASA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate (CID 59878783) is methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate is CC[C@H]1C(F)CC(OP)[C@@H]1C/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate?
The InChIKey is VINMDKNDIAVXLV-UQPDOETASA-N. The full InChI is InChI=1S/C15H26FO3P/c1-3-11-12(14(19-20)10-13(11)16)8-6-4-5-7-9-15(17)18-2/h4,6,11-14H,3,5,7-10,20H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1.
What are the key properties of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate?
methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate has a molecular weight of 304.34 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-phosphanyloxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 59878783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).