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

C14H27BO3 — CID 132509926

IUPAC1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
SMILESCC(O)(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C14H27BO3/c1-12(2)13(3,4)18-15(17-12)14(5,16)11-9-7-6-8-10-11/h11,16H,6-10H2,1-5H3
InChIKeySYEPSQJBASEETQ-UHFFFAOYSA-N
MW254.18 g/mol
LogP2.95
Rot. Bonds2

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

1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol (PubChem CID 132509926) has the molecular formula C14H27BO3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
PubChem CID132509926
Molecular FormulaC14H27BO3
Molecular Weight254.18 g/mol
Exact Mass254.21
IUPAC Name1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
SMILESCC(O)(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C14H27BO3/c1-12(2)13(3,4)18-15(17-12)14(5,16)11-9-7-6-8-10-11/h11,16H,6-10H2,1-5H3
InChIKeySYEPSQJBASEETQ-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 52.95
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

1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 101505491
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
Boric acid;1-cyclohexyl-2,3-dimethylbutane-2,3-diol
CID 159822068
CID 160226031
CID 160226031
2-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043508
4-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexan-1-ol
CID 115043509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The IUPAC name of 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol (CID 132509926) is 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol is CC(O)(B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The InChIKey is SYEPSQJBASEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO3/c1-12(2)13(3,4)18-15(17-12)14(5,16)11-9-7-6-8-10-11/h11,16H,6-10H2,1-5H3.
What are the key properties of 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol has a molecular weight of 254.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol is sourced from PubChem (CID 132509926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).