6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine

C11H19BO2 — CID 23836198

IUPAC6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine
SMILESCC1=CCB(O)OC1C1CCCCC1
InChIInChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7,10-11,13H,2-6,8H2,1H3
InChIKeyGSYHABOCHUWKDO-UHFFFAOYSA-N
MW194.08 g/mol
LogP2.39
Rot. Bonds1

About 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine

6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine (PubChem CID 23836198) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine.

Molecular Properties

Compound Name6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine
PubChem CID23836198
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Name6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine
SMILESCC1=CCB(O)OC1C1CCCCC1
InChIInChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7,10-11,13H,2-6,8H2,1H3
InChIKeyGSYHABOCHUWKDO-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-cyclohexyl-3,6-dihydro-1,2-dioxine
CID 11701108
(3R)-3-(cyclohexylmethyl)-3,6-dihydro-1,2-dioxine
CID 16727770
4-Cyclohexyl-3,6-dihydro-1,2-dioxine
CID 16727769
3-Cyclohexyl-3,6-dihydro-1,2-dioxine
CID 11309742
(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol
CID 13440544
(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol
CID 16726168
(E,1R,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol
CID 16726223
5-Cyclohexyl-2-hydroxy-3,6-dihydrooxaborinine
CID 154712815
Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
CID 10558861
4-Pentylcyclohexyl hydrogen cyclohex-1-EN-1-ylboronate
CID 53445844
4-Propylcyclohexyl hydrogen cyclohex-1-en-1-ylboronate
CID 53445845
1,2-Dioxin, 3-(cyclohexylmethyl)-3,6-dihydro-
CID 11367389

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine?
The IUPAC name of 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine (CID 23836198) is 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine.
What is the SMILES notation for 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine?
The canonical SMILES for 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine is CC1=CCB(O)OC1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine?
The InChIKey is GSYHABOCHUWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7,10-11,13H,2-6,8H2,1H3.
What are the key properties of 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine?
6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine has a molecular weight of 194.08 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-hydroxy-5-methyl-3,6-dihydrooxaborinine is sourced from PubChem (CID 23836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).