2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BO4 — CID 68977685

IUPAC2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOCc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)13-9-7-6-8-12(13)10-18-11-17-5/h6-9H,10-11H2,1-5H3
InChIKeyXCJLYOWPVHZTLX-UHFFFAOYSA-N
MW278.16 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 68977685) has the molecular formula C15H23BO4 and a molecular weight of 278.16 g/mol. Its IUPAC name is 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID68977685
Molecular FormulaC15H23BO4
Molecular Weight278.16 g/mol
Exact Mass278.17
IUPAC Name2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOCc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)13-9-7-6-8-12(13)10-18-11-17-5/h6-9H,10-11H2,1-5H3
InChIKeyXCJLYOWPVHZTLX-UHFFFAOYSA-N
XLogP2.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 68977685) is 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOCc1ccccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XCJLYOWPVHZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)13-9-7-6-8-12(13)10-18-11-17-5/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 278.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 68977685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).