6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol

C12H25BO3 — CID 57368686

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
SMILESCC1(C)OB(CCCCCCO)OC1(C)C
InChIInChI=1S/C12H25BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10-14/h14H,5-10H2,1-4H3
InChIKeySOKGHSYXRHCJTR-UHFFFAOYSA-N
MW228.14 g/mol
LogP2.63
Rot. Bonds6

About 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol (PubChem CID 57368686) has the molecular formula C12H25BO3 and a molecular weight of 228.14 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
PubChem CID57368686
Molecular FormulaC12H25BO3
Molecular Weight228.14 g/mol
Exact Mass228.19
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
SMILESCC1(C)OB(CCCCCCO)OC1(C)C
InChIInChI=1S/C12H25BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10-14/h14H,5-10H2,1-4H3
InChIKeySOKGHSYXRHCJTR-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol (CID 57368686) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol is CC1(C)OB(CCCCCCO)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The InChIKey is SOKGHSYXRHCJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10-14/h14H,5-10H2,1-4H3.
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol has a molecular weight of 228.14 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol is sourced from PubChem (CID 57368686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).