pentadecoxymethylboronic acid

C16H35BO3 — CID 151152394

IUPACpentadecoxymethylboronic acid
SMILESCCCCCCCCCCCCCCCOCB(O)O
InChIInChI=1S/C16H35BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h18-19H,2-16H2,1H3
InChIKeyMYMJDWKQVPQWGD-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.11
Rot. Bonds16

About pentadecoxymethylboronic acid

pentadecoxymethylboronic acid (PubChem CID 151152394) has the molecular formula C16H35BO3 and a molecular weight of 286.26 g/mol. Its IUPAC name is pentadecoxymethylboronic acid.

Molecular Properties

Compound Namepentadecoxymethylboronic acid
PubChem CID151152394
Molecular FormulaC16H35BO3
Molecular Weight286.26 g/mol
Exact Mass286.27
IUPAC Namepentadecoxymethylboronic acid
SMILESCCCCCCCCCCCCCCCOCB(O)O
InChIInChI=1S/C16H35BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h18-19H,2-16H2,1H3
InChIKeyMYMJDWKQVPQWGD-UHFFFAOYSA-N
XLogP4.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.11
H-Bond Donors ≤ 52
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

butoxymethylboronic acid
CID 53421464
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704

Frequently Asked Questions

What is the IUPAC name of pentadecoxymethylboronic acid?
The IUPAC name of pentadecoxymethylboronic acid (CID 151152394) is pentadecoxymethylboronic acid.
What is the SMILES notation for pentadecoxymethylboronic acid?
The canonical SMILES for pentadecoxymethylboronic acid is CCCCCCCCCCCCCCCOCB(O)O.
What is the InChIKey of pentadecoxymethylboronic acid?
The InChIKey is MYMJDWKQVPQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h18-19H,2-16H2,1H3.
What are the key properties of pentadecoxymethylboronic acid?
pentadecoxymethylboronic acid has a molecular weight of 286.26 g/mol, XLogP of 4.11, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecoxymethylboronic acid is sourced from PubChem (CID 151152394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).