methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate

C17H30BFO4 — CID 162624154

IUPACmethyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C(\F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H30BFO4/c1-16(2)17(3,4)23-18(22-16)14(19)12-10-8-6-7-9-11-13-15(20)21-5/h12H,6-11,13H2,1-5H3/b14-12-
InChIKeyCPMXHBSKOAOUHJ-OWBHPGMISA-N
MW328.23 g/mol
LogP4.37
Rot. Bonds9

About methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate

methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate (PubChem CID 162624154) has the molecular formula C17H30BFO4 and a molecular weight of 328.23 g/mol. Its IUPAC name is methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
PubChem CID162624154
Molecular FormulaC17H30BFO4
Molecular Weight328.23 g/mol
Exact Mass328.22
IUPAC Namemethyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C(\F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H30BFO4/c1-16(2)17(3,4)23-18(22-16)14(19)12-10-8-6-7-9-11-13-15(20)21-5/h12H,6-11,13H2,1-5H3/b14-12-
InChIKeyCPMXHBSKOAOUHJ-OWBHPGMISA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate?
The IUPAC name of methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate (CID 162624154) is methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate.
What is the SMILES notation for methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate?
The canonical SMILES for methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate is COC(=O)CCCCCCC/C=C(\F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate?
The InChIKey is CPMXHBSKOAOUHJ-OWBHPGMISA-N. The full InChI is InChI=1S/C17H30BFO4/c1-16(2)17(3,4)23-18(22-16)14(19)12-10-8-6-7-9-11-13-15(20)21-5/h12H,6-11,13H2,1-5H3/b14-12-.
What are the key properties of methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate?
methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate has a molecular weight of 328.23 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate is sourced from PubChem (CID 162624154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).