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

C16H30BFO2 — CID 171110434

IUPAC2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30BFO2/c1-12(2)9-10-14(3,4)11-13(18)17-19-15(5,6)16(7,8)20-17/h11-12H,9-10H2,1-8H3
InChIKeyMAJVEQYDEXWUKL-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.93
Rot. Bonds5

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

2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110434) has the molecular formula C16H30BFO2 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110434
Molecular FormulaC16H30BFO2
Molecular Weight284.22 g/mol
Exact Mass284.23
IUPAC Name2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30BFO2/c1-12(2)9-10-14(3,4)11-13(18)17-19-15(5,6)16(7,8)20-17/h11-12H,9-10H2,1-8H3
InChIKeyMAJVEQYDEXWUKL-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-Difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109995
2-[4-(2,2-Difluorocyclopropyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110001
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3,3-dimethylhex-1-enyl)-1,3,2-dioxaborolane
CID 171110003
2-[2-[3-(Difluoromethyl)-3-methylcyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110013
2-(1-Fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110015
2-(1-Fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110036
2-[1-Fluoro-2-[1-(2-fluoroethyl)cyclobutyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110047
2-[2-[1-(2,2-Difluoroethyl)cyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110048
2-[2-(1-Ethyl-3,3-difluorocyclobutyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110050
2-[2-(2-Ethylcyclopropyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110094
2-(1-Fluoro-4,4-dimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110175
2-(1,5-Difluoro-5-methylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110181

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110434) is 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)CCC(C)(C)C=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MAJVEQYDEXWUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BFO2/c1-12(2)9-10-14(3,4)11-13(18)17-19-15(5,6)16(7,8)20-17/h11-12H,9-10H2,1-8H3.
What are the key properties of 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 284.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).