9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol

C15H31BO3 — CID 75486902

IUPAC9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol
SMILESCC1(C)OB(CCCCCCCCCO)OC1(C)C
InChIInChI=1S/C15H31BO3/c1-14(2)15(3,4)19-16(18-14)12-10-8-6-5-7-9-11-13-17/h17H,5-13H2,1-4H3
InChIKeyMRVYNHPQGJDHGR-UHFFFAOYSA-N
MW270.22 g/mol
LogP3.80
Rot. Bonds9

About 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol

9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol (PubChem CID 75486902) has the molecular formula C15H31BO3 and a molecular weight of 270.22 g/mol. Its IUPAC name is 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol.

Molecular Properties

Compound Name9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol
PubChem CID75486902
Molecular FormulaC15H31BO3
Molecular Weight270.22 g/mol
Exact Mass270.24
IUPAC Name9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol
SMILESCC1(C)OB(CCCCCCCCCO)OC1(C)C
InChIInChI=1S/C15H31BO3/c1-14(2)15(3,4)19-16(18-14)12-10-8-6-5-7-9-11-13-17/h17H,5-13H2,1-4H3
InChIKeyMRVYNHPQGJDHGR-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol?
The IUPAC name of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol (CID 75486902) is 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol.
What is the SMILES notation for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol?
The canonical SMILES for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol is CC1(C)OB(CCCCCCCCCO)OC1(C)C.
What is the InChIKey of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol?
The InChIKey is MRVYNHPQGJDHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BO3/c1-14(2)15(3,4)19-16(18-14)12-10-8-6-5-7-9-11-13-17/h17H,5-13H2,1-4H3.
What are the key properties of 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol?
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol has a molecular weight of 270.22 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol is sourced from PubChem (CID 75486902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).