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

C12H25BO2 — CID 10921795

IUPAC2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3
InChIKeyLDPMCSWZEGKWLC-UHFFFAOYSA-N
MW212.14 g/mol
LogP3.66
Rot. Bonds5

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

2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10921795) has the molecular formula C12H25BO2 and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10921795
Molecular FormulaC12H25BO2
Molecular Weight212.14 g/mol
Exact Mass212.19
IUPAC Name2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3
InChIKeyLDPMCSWZEGKWLC-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 53.66
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 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10921795) is 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LDPMCSWZEGKWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3.
What are the key properties of 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 212.14 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).