(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine

C11H19BO2 — CID 134962917

IUPAC(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine
SMILESC[C@@H]1C=CB(O)O[C@H]1C1CCCCC1
InChIInChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7-11,13H,2-6H2,1H3/t9-,11-/m1/s1
InChIKeyZSYPWKBGKTYBBU-MWLCHTKSSA-N
MW194.08 g/mol
LogP2.18
Rot. Bonds1

About (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine

(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine (PubChem CID 134962917) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine.

Molecular Properties

Compound Name(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine
PubChem CID134962917
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Name(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine
SMILESC[C@@H]1C=CB(O)O[C@H]1C1CCCCC1
InChIInChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7-11,13H,2-6H2,1H3/t9-,11-/m1/s1
InChIKeyZSYPWKBGKTYBBU-MWLCHTKSSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 11276209
(1R,2S,3R,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 57681721
(1S,3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681724
(1R,2S,3S)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 57681732
(1S,3R,4S)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681734
(4R,5R)-2-[(2R)-but-3-en-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 101514314
(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 139248849
1-Cyclohexyl-2-methylhex-5-ene-1,3-diol;ethane
CID 178417260
4-Pentylcyclohexyl hydrogen cyclohex-1-EN-1-ylboronate
CID 53445844
4-Propylcyclohexyl hydrogen cyclohex-1-en-1-ylboronate
CID 53445845
(3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681720
(2S,3S)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 57681729

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine?
The IUPAC name of (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine (CID 134962917) is (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine.
What is the SMILES notation for (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine?
The canonical SMILES for (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine is C[C@@H]1C=CB(O)O[C@H]1C1CCCCC1.
What is the InChIKey of (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine?
The InChIKey is ZSYPWKBGKTYBBU-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19BO2/c1-9-7-8-12(13)14-11(9)10-5-3-2-4-6-10/h7-11,13H,2-6H2,1H3/t9-,11-/m1/s1.
What are the key properties of (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine?
(5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine has a molecular weight of 194.08 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-cyclohexyl-2-hydroxy-5-methyl-5,6-dihydrooxaborinine is sourced from PubChem (CID 134962917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).