2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H31BO2 — CID 174079218

IUPAC2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CC)C(C)CC(C)(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-10-12(2)13(3)11-14(4,5)17-18-15(6,7)16(8,9)19-17/h13H,2,10-11H2,1,3-9H3
InChIKeySOHKCNQLFGYEEN-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.85
Rot. Bonds5

About 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 174079218) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID174079218
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CC)C(C)CC(C)(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H31BO2/c1-10-12(2)13(3)11-14(4,5)17-18-15(6,7)16(8,9)19-17/h13H,2,10-11H2,1,3-9H3
InChIKeySOHKCNQLFGYEEN-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 174079218) is 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(CC)C(C)CC(C)(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SOHKCNQLFGYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO2/c1-10-12(2)13(3)11-14(4,5)17-18-15(6,7)16(8,9)19-17/h13H,2,10-11H2,1,3-9H3.
What are the key properties of 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-methylideneheptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 174079218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).