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

C12H25BO3 — CID 154712875

IUPAC4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-9(2)7-10(14)8-13-15-11(3,4)12(5,6)16-13/h9-10,14H,7-8H2,1-6H3
InChIKeyVUCBXZXJJAKRLP-UHFFFAOYSA-N
MW228.14 g/mol
LogP2.49
Rot. Bonds4

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

4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (PubChem CID 154712875) has the molecular formula C12H25BO3 and a molecular weight of 228.14 g/mol. Its IUPAC name is 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
PubChem CID154712875
Molecular FormulaC12H25BO3
Molecular Weight228.14 g/mol
Exact Mass228.19
IUPAC Name4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-9(2)7-10(14)8-13-15-11(3,4)12(5,6)16-13/h9-10,14H,7-8H2,1-6H3
InChIKeyVUCBXZXJJAKRLP-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
CID 146165741
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol
CID 165996009
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
4,4,5,5-Tetramethyl-1,3,2-dioxyborolane
CID 142693273
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 101892485
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 154712527
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
2-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154713275
(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154718582
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
3-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154719308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The IUPAC name of 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (CID 154712875) is 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is CC(C)CC(O)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The InChIKey is VUCBXZXJJAKRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO3/c1-9(2)7-10(14)8-13-15-11(3,4)12(5,6)16-13/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol has a molecular weight of 228.14 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is sourced from PubChem (CID 154712875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).