4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane

C19H35BO2 — CID 101043870

About 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane (PubChem CID 101043870) has the molecular formula C19H35BO2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane
• PubChem CID: 101043870
• Molecular Formula: C19H35BO2
• Molecular Weight: 306.30 g/mol
• Exact Mass: 306.27
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane
• SMILES: CC(C)=CCC/C(C)=C/C(B1OC(C)(C)C(C)(C)O1)C(C)C
• InChI: InChI=1S/C19H35BO2/c1-14(2)11-10-12-16(5)13-17(15(3)4)20-21-18(6,7)19(8,9)22-20/h11,13,15,17H,10,12H2,1-9H3/b16-13+
• InChIKey: UIVMQSJWTJZENT-DTQAZKPQSA-N
• XLogP: 5.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	306.30
LogP ≤ 5	5.80
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 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane (CID 101043870) is 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane is CC(C)=CCC/C(C)=C/C(B1OC(C)(C)C(C)(C)O1)C(C)C.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane?

The InChIKey is UIVMQSJWTJZENT-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H35BO2/c1-14(2)11-10-12-16(5)13-17(15(3)4)20-21-18(6,7)19(8,9)22-20/h11,13,15,17H,10,12H2,1-9H3/b16-13+.

What are the key properties of 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane has a molecular weight of 306.30 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 101043870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).