4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol

C13H25BO3 — CID 115043509

IUPAC4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)OB(CC2CCC(O)CC2)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h10-11,15H,5-9H2,1-4H3
InChIKeyAXZMUFCZFAXAKQ-UHFFFAOYSA-N
MW240.15 g/mol
LogP2.63
Rot. Bonds2

About 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol

4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol (PubChem CID 115043509) has the molecular formula C13H25BO3 and a molecular weight of 240.15 g/mol. Its IUPAC name is 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
PubChem CID115043509
Molecular FormulaC13H25BO3
Molecular Weight240.15 g/mol
Exact Mass240.19
IUPAC Name4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)OB(CC2CCC(O)CC2)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h10-11,15H,5-9H2,1-4H3
InChIKeyAXZMUFCZFAXAKQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 52.63
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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
trans-(1R,2S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505494
1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 135080230
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154718790
(1S)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 154719026
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
CID 89553014
CID 89553014
[1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]methanol
CID 172324814
trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10013914
cis-(1S,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10105093

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol (CID 115043509) is 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol is CC1(C)OB(CC2CCC(O)CC2)OC1(C)C.
What is the InChIKey of 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is AXZMUFCZFAXAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 240.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115043509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).