2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H28BFO3 — CID 171109914

IUPAC2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCC(C)(C)CCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO3/c1-13(2,11-18-7)10-8-9-12(17)16-19-14(3,4)15(5,6)20-16/h9H,8,10-11H2,1-7H3
InChIKeyUNKQZRYMJUSCSM-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.92
Rot. Bonds6

About 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171109914) has the molecular formula C15H28BFO3 and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171109914
Molecular FormulaC15H28BFO3
Molecular Weight286.20 g/mol
Exact Mass286.21
IUPAC Name2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCC(C)(C)CCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFO3/c1-13(2,11-18-7)10-8-9-12(17)16-19-14(3,4)15(5,6)20-16/h9H,8,10-11H2,1-7H3
InChIKeyUNKQZRYMJUSCSM-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171109914) is 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCC(C)(C)CCC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UNKQZRYMJUSCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BFO3/c1-13(2,11-18-7)10-8-9-12(17)16-19-14(3,4)15(5,6)20-16/h9H,8,10-11H2,1-7H3.
What are the key properties of 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 286.20 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-6-methoxy-5,5-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171109914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).