4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane

C16H29BO2 — CID 162409705

IUPAC4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CC3(CCCCC3)C2)OC1(C)C
InChIInChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)12-13-10-16(11-13)8-6-5-7-9-16/h13H,5-12H2,1-4H3
InChIKeyJYOCJTMLJVLZNH-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.44
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane (PubChem CID 162409705) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
PubChem CID162409705
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CC3(CCCCC3)C2)OC1(C)C
InChIInChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)12-13-10-16(11-13)8-6-5-7-9-16/h13H,5-12H2,1-4H3
InChIKeyJYOCJTMLJVLZNH-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane (CID 162409705) is 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane is CC1(C)OB(CC2CC3(CCCCC3)C2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane?
The InChIKey is JYOCJTMLJVLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)12-13-10-16(11-13)8-6-5-7-9-16/h13H,5-12H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.44, 2 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-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162409705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).