(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C17H31BO3 — CID 135048199

IUPAC(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCC(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H31BO3/c1-13(2)19-18-20-16(14-9-5-3-6-10-14)17(21-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyUBRYVCHTGSMZRB-IAGOWNOFSA-N
MW294.24 g/mol
LogP4.34
Rot. Bonds4

About (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane

(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 135048199) has the molecular formula C17H31BO3 and a molecular weight of 294.24 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID135048199
Molecular FormulaC17H31BO3
Molecular Weight294.24 g/mol
Exact Mass294.24
IUPAC Name(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCC(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H31BO3/c1-13(2)19-18-20-16(14-9-5-3-6-10-14)17(21-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyUBRYVCHTGSMZRB-IAGOWNOFSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methanol
CID 10563666
(4R,5R)-2-((1S)-1-Chloroethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 10590228
(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
CID 11414617
(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 15222423
tert-butyl-[[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-dimethylsilane
CID 134904643
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
[(1R)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
CID 135036831
(4S,5S)-2-(chloromethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135048242
(4S,5S)-2-[(1R)-1-chloroethyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135048970

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 135048199) is (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane is CC(C)OB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is UBRYVCHTGSMZRB-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H31BO3/c1-13(2)19-18-20-16(14-9-5-3-6-10-14)17(21-18)15-11-7-4-8-12-15/h13-17H,3-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 294.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 135048199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).