4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane

C14H29BO2 — CID 11253440

IUPAC4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane
SMILESCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H29BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h6-12H2,1-5H3
InChIKeyJYYHTFAJEPMWME-UHFFFAOYSA-N
MW240.20 g/mol
LogP4.44
Rot. Bonds7

About 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane (PubChem CID 11253440) has the molecular formula C14H29BO2 and a molecular weight of 240.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane
PubChem CID11253440
Molecular FormulaC14H29BO2
Molecular Weight240.20 g/mol
Exact Mass240.23
IUPAC Name4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane
SMILESCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H29BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h6-12H2,1-5H3
InChIKeyJYYHTFAJEPMWME-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 54.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane (CID 11253440) is 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane is CCCCCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane?
The InChIKey is JYYHTFAJEPMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h6-12H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-octyl-1,3,2-dioxaborolane has a molecular weight of 240.20 g/mol, XLogP of 4.44, 7 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-octyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11253440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).