(4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane

C23H41BO2 — CID 10784744

About (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane

(4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane (PubChem CID 10784744) has the molecular formula C23H41BO2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane
• PubChem CID: 10784744
• Molecular Formula: C23H41BO2
• Molecular Weight: 360.39 g/mol
• Exact Mass: 360.32
• IUPAC Name: (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane
• SMILES: C=C(CC)[C@@H](C)C[C@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
• InChI: InChI=1S/C23H41BO2/c1-5-17(2)18(3)16-19(4)24-25-22(20-12-8-6-9-13-20)23(26-24)21-14-10-7-11-15-21/h18-23H,2,5-16H2,1,3-4H3/t18-,19-,22+,23+/m0/s1
• InChIKey: NOICNXWMGUHFNT-BZRIBIQUSA-N
• XLogP: 6.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.39
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane?

The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane (CID 10784744) is (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane?

The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane is C=C(CC)[C@@H](C)C[C@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.

What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane?

The InChIKey is NOICNXWMGUHFNT-BZRIBIQUSA-N. The full InChI is InChI=1S/C23H41BO2/c1-5-17(2)18(3)16-19(4)24-25-22(20-12-8-6-9-13-20)23(26-24)21-14-10-7-11-15-21/h18-23H,2,5-16H2,1,3-4H3/t18-,19-,22+,23+/m0/s1.

What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane?

(4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 360.39 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-4,5-dicyclohexyl-2-[(2S,4S)-4-methyl-5-methylideneheptan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 10784744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).