4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane

C18H37BO3 — CID 164681010

IUPAC4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane
SMILESCC(C)(C)OCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3/c1-16(2,3)20-15-13-11-9-8-10-12-14-19-21-17(4,5)18(6,7)22-19/h8-15H2,1-7H3
InChIKeyYIIMVERSGVFEEZ-UHFFFAOYSA-N
MW312.30 g/mol
LogP5.23
Rot. Bonds9

About 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane (PubChem CID 164681010) has the molecular formula C18H37BO3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane
PubChem CID164681010
Molecular FormulaC18H37BO3
Molecular Weight312.30 g/mol
Exact Mass312.28
IUPAC Name4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane
SMILESCC(C)(C)OCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3/c1-16(2,3)20-15-13-11-9-8-10-12-14-19-21-17(4,5)18(6,7)22-19/h8-15H2,1-7H3
InChIKeyYIIMVERSGVFEEZ-UHFFFAOYSA-N
XLogP5.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.30
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane
CID 146168888
2-(2-Butyltetrahydrofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163408167
2-[(2S)-2-butyloxan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164670972
2-[4-(Ethoxymethyl)-4-ethylcyclohexyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155672220
1-[(2-Methylpropan-2-yl)oxy]decane;oxolane
CID 157399947
2-(1-Butoxyheptan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10891850
4,4,5,5-Tetramethyl-2-[1-(oxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960976
4,4,5,5-Tetramethyl-2-[1-(6-methyloxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960977

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane (CID 164681010) is 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane is CC(C)(C)OCCCCCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane?
The InChIKey is YIIMVERSGVFEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37BO3/c1-16(2,3)20-15-13-11-9-8-10-12-14-19-21-17(4,5)18(6,7)22-19/h8-15H2,1-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane has a molecular weight of 312.30 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[8-[(2-methylpropan-2-yl)oxy]octyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164681010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).