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

C12H25BO3 — CID 154712527

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
SMILESCC(CCCCO)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-10(8-6-7-9-14)13-15-11(2,3)12(4,5)16-13/h10,14H,6-9H2,1-5H3
InChIKeyHTSBSXIEUXZYLT-UHFFFAOYSA-N
MW228.14 g/mol
LogP2.63
Rot. Bonds5

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol (PubChem CID 154712527) has the molecular formula C12H25BO3 and a molecular weight of 228.14 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
PubChem CID154712527
Molecular FormulaC12H25BO3
Molecular Weight228.14 g/mol
Exact Mass228.19
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
SMILESCC(CCCCO)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-10(8-6-7-9-14)13-15-11(2,3)12(4,5)16-13/h10,14H,6-9H2,1-5H3
InChIKeyHTSBSXIEUXZYLT-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505491
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
2-Ethyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 68064186
3-Hydroxypropylboronic acid pinacol ester
CID 85849978
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 123813047
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 155738263
2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol
CID 163939541

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol (CID 154712527) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol is CC(CCCCO)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
The InChIKey is HTSBSXIEUXZYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO3/c1-10(8-6-7-9-14)13-15-11(2,3)12(4,5)16-13/h10,14H,6-9H2,1-5H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol?
5-(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, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol is sourced from PubChem (CID 154712527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).