[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol

C15H27BO3 — CID 10563666

IUPAC[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol
SMILESOCB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C15H27BO3/c17-11-16-18-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h12-15,17H,1-11H2/t14-,15-/m0/s1
InChIKeyPPJGLJSSKPBCAK-GJZGRUSLSA-N
MW266.19 g/mol
LogP2.95
Rot. Bonds3

About [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol

[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol (PubChem CID 10563666) has the molecular formula C15H27BO3 and a molecular weight of 266.19 g/mol. Its IUPAC name is [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol
PubChem CID10563666
Molecular FormulaC15H27BO3
Molecular Weight266.19 g/mol
Exact Mass266.21
IUPAC Name[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol
SMILESOCB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C15H27BO3/c17-11-16-18-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h12-15,17H,1-11H2/t14-,15-/m0/s1
InChIKeyPPJGLJSSKPBCAK-GJZGRUSLSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
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

(1R,2R)-1,2-Dicyclohexylethane-1,2-diol
CID 10633028
1,2-Dicyclohexyl-ethane-1,2-diol
CID 4424117
(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10377401
(4R,5R)-4,5-dicyclohexyl-2-ethyl-1,3,2-dioxaborolane
CID 10912368
(S,S)-(+)-1,2-Dicyclohexyl-1,2-ethanediol
CID 10955279
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 135048199
(4S,5S)-2-(chloromethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135048242
(3S,4R,5S)-5-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-4-methylhexan-3-ol
CID 15222422
1,3-Dicyclohexylpropane-1,2-diol
CID 17917700

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol?
The IUPAC name of [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol (CID 10563666) is [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol.
What is the SMILES notation for [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol?
The canonical SMILES for [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol is OCB1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1.
What is the InChIKey of [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol?
The InChIKey is PPJGLJSSKPBCAK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H27BO3/c17-11-16-18-14(12-7-3-1-4-8-12)15(19-16)13-9-5-2-6-10-13/h12-15,17H,1-11H2/t14-,15-/m0/s1.
What are the key properties of [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol?
[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol has a molecular weight of 266.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol is sourced from PubChem (CID 10563666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).