(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol

C13H25BO3 — CID 154718790

IUPAC(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
SMILESCC1(C)OB([C@H](O)C2CCCCC2)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)11(15)10-8-6-5-7-9-10/h10-11,15H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyQNAPAUXEBAVZCX-LLVKDONJSA-N
MW240.15 g/mol
LogP2.56
Rot. Bonds2

About (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol

(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol (PubChem CID 154718790) has the molecular formula C13H25BO3 and a molecular weight of 240.15 g/mol. Its IUPAC name is (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol.

Molecular Properties

Compound Name(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
PubChem CID154718790
Molecular FormulaC13H25BO3
Molecular Weight240.15 g/mol
Exact Mass240.19
IUPAC Name(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
SMILESCC1(C)OB([C@H](O)C2CCCCC2)OC1(C)C
InChIInChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)11(15)10-8-6-5-7-9-10/h10-11,15H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyQNAPAUXEBAVZCX-LLVKDONJSA-N
XLogP2.56
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 ≤ 52.56
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
(1S)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 154719026
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
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
9-(Tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol
CID 75486902
(R)-[(1R,2S)-2-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-cyclohexylmethanol
CID 101472056

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The IUPAC name of (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol (CID 154718790) is (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol.
What is the SMILES notation for (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The canonical SMILES for (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol is CC1(C)OB([C@H](O)C2CCCCC2)OC1(C)C.
What is the InChIKey of (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The InChIKey is QNAPAUXEBAVZCX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25BO3/c1-12(2)13(3,4)17-14(16-12)11(15)10-8-6-5-7-9-10/h10-11,15H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol has a molecular weight of 240.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol is sourced from PubChem (CID 154718790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).