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

C13H25BO3 — CID 115043508

IUPAC2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)OB(CC2CCCCC2O)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-7-5-6-8-11(10)15/h10-11,15H,5-9H2,1-4H3
InChIKeyXIGFTSKRSJMAER-UHFFFAOYSA-N
MW240.15 g/mol
LogP2.63
Rot. Bonds2

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

2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol (PubChem CID 115043508) has the molecular formula C13H25BO3 and a molecular weight of 240.15 g/mol. Its IUPAC name is 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
PubChem CID115043508
Molecular FormulaC13H25BO3
Molecular Weight240.15 g/mol
Exact Mass240.19
IUPAC Name2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)OB(CC2CCCCC2O)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-7-5-6-8-11(10)15/h10-11,15H,5-9H2,1-4H3
InChIKeyXIGFTSKRSJMAER-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
CID 89553014
CID 89553014
5-Octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 124007357
2-Cyclohexyl-1-hydroxy-4,4,5,5-tetramethylborolan-3-ol
CID 140654622
[1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]methanol
CID 172324814
(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
CID 101472056
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035373

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol (CID 115043508) is 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol is CC1(C)OB(CC2CCCCC2O)OC1(C)C.
What is the InChIKey of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is XIGFTSKRSJMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)9-10-7-5-6-8-11(10)15/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol?
2-[(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 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115043508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).