5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate

C13H25BO4 — CID 154713057

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO4/c1-11(15)16-10-8-6-7-9-14-17-12(2,3)13(4,5)18-14/h6-10H2,1-5H3
InChIKeyLOVDNJJGJAHHOB-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.81
Rot. Bonds6

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate (PubChem CID 154713057) has the molecular formula C13H25BO4 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate
PubChem CID154713057
Molecular FormulaC13H25BO4
Molecular Weight256.15 g/mol
Exact Mass256.18
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO4/c1-11(15)16-10-8-6-7-9-14-17-12(2,3)13(4,5)18-14/h6-10H2,1-5H3
InChIKeyLOVDNJJGJAHHOB-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.81
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'}

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Related Compounds

11-acetyloxyundecyl acetate
CID 87784419
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy thiohypoiodite
CID 144675497
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 163353914
azane;tetradecyl acetate
CID 87432458
8-sulfanyloctyl acetate
CID 19068319
alumane;hexyl acetate
CID 174832794
11-sulfanylundecyl acetate
CID 101045220
8-chlorooctyl acetate
CID 527879
CID 162323537
CID 162323537
2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate (CID 154713057) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate is CC(=O)OCCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate?
The InChIKey is LOVDNJJGJAHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO4/c1-11(15)16-10-8-6-7-9-14-17-12(2,3)13(4,5)18-14/h6-10H2,1-5H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate has a molecular weight of 256.15 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate is sourced from PubChem (CID 154713057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).