4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane

C14H27BO2 — CID 132938680

IUPAC4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
SMILESC=CC(CCCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-7-9-10-11-12(8-2)15-16-13(3,4)14(5,6)17-15/h8,12H,2,7,9-11H2,1,3-6H3
InChIKeyVGAPPPRENYOXMD-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.22
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane (PubChem CID 132938680) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
PubChem CID132938680
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
SMILESC=CC(CCCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-7-9-10-11-12(8-2)15-16-13(3,4)14(5,6)17-15/h8,12H,2,7,9-11H2,1,3-6H3
InChIKeyVGAPPPRENYOXMD-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
methyl (4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoate
CID 134860416
2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132601552
2-[(E,4R)-hept-2-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101473978
3-ethenylnon-1-ene
CID 123641938
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
CID 12680495
10-ethenylnonadecane
CID 57244946
3-methylbut-1-ene;2-methylheptane
CID 157223055
ethane;9-ethenylheptadecane;octane
CID 168985515
(3R)-3-ethyloct-1-ene
CID 50898077

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane (CID 132938680) is 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane is C=CC(CCCCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane?
The InChIKey is VGAPPPRENYOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-7-9-10-11-12(8-2)15-16-13(3,4)14(5,6)17-15/h8,12H,2,7,9-11H2,1,3-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 132938680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).