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

C15H26BN3O2 — CID 102409758

IUPAC(4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILES[N-]=[N+]=NCB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H26BN3O2/c17-19-18-11-16-20-14(12-7-3-1-4-8-12)15(21-16)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m1/s1
InChIKeyAYALENSBZRZYKS-HUUCEWRRSA-N
MW291.20 g/mol
LogP4.27
Rot. Bonds4

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

(4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane (PubChem CID 102409758) has the molecular formula C15H26BN3O2 and a molecular weight of 291.20 g/mol. Its IUPAC name is (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
PubChem CID102409758
Molecular FormulaC15H26BN3O2
Molecular Weight291.20 g/mol
Exact Mass291.21
IUPAC Name(4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILES[N-]=[N+]=NCB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H26BN3O2/c17-19-18-11-16-20-14(12-7-3-1-4-8-12)15(21-16)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m1/s1
InChIKeyAYALENSBZRZYKS-HUUCEWRRSA-N
XLogP4.27
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10377401
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
4,5-Dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 18970935
CID 69599826
CID 69599826
CID 69599835
CID 69599835
(4R,5R)-2-(3-azidopropyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 102243652

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane (CID 102409758) is (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane is [N-]=[N+]=NCB1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The InChIKey is AYALENSBZRZYKS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H26BN3O2/c17-19-18-11-16-20-14(12-7-3-1-4-8-12)15(21-16)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane?
(4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane has a molecular weight of 291.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(azidomethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102409758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).