10,10-dimethylundecoxyboronic acid

C13H29BO3 — CID 150810313

IUPAC10,10-dimethylundecoxyboronic acid
SMILESCC(C)(C)CCCCCCCCCOB(O)O
InChIInChI=1S/C13H29BO3/c1-13(2,3)11-9-7-5-4-6-8-10-12-17-14(15)16/h15-16H,4-12H2,1-3H3
InChIKeyAVGIHDFFHQTMBB-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.14
Rot. Bonds10

About 10,10-dimethylundecoxyboronic acid

10,10-dimethylundecoxyboronic acid (PubChem CID 150810313) has the molecular formula C13H29BO3 and a molecular weight of 244.18 g/mol. Its IUPAC name is 10,10-dimethylundecoxyboronic acid.

Molecular Properties

Compound Name10,10-dimethylundecoxyboronic acid
PubChem CID150810313
Molecular FormulaC13H29BO3
Molecular Weight244.18 g/mol
Exact Mass244.22
IUPAC Name10,10-dimethylundecoxyboronic acid
SMILESCC(C)(C)CCCCCCCCCOB(O)O
InChIInChI=1S/C13H29BO3/c1-13(2,3)11-9-7-5-4-6-8-10-12-17-14(15)16/h15-16H,4-12H2,1-3H3
InChIKeyAVGIHDFFHQTMBB-UHFFFAOYSA-N
XLogP3.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.14
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

12,12,12-trifluorododecoxyboronic acid
CID 150599191
nonadecoxyboronic acid
CID 154133434
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
tridecoxyboronic acid;tridodecyl borate
CID 174050200
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-hydroperoxyperoxy-9,9-dimethyldecane
CID 140733484
6,6-dimethylheptyl hydrogen carbonate
CID 129150337
6,6-dimethylheptyl nitrate
CID 58979754

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylundecoxyboronic acid?
The IUPAC name of 10,10-dimethylundecoxyboronic acid (CID 150810313) is 10,10-dimethylundecoxyboronic acid.
What is the SMILES notation for 10,10-dimethylundecoxyboronic acid?
The canonical SMILES for 10,10-dimethylundecoxyboronic acid is CC(C)(C)CCCCCCCCCOB(O)O.
What is the InChIKey of 10,10-dimethylundecoxyboronic acid?
The InChIKey is AVGIHDFFHQTMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BO3/c1-13(2,3)11-9-7-5-4-6-8-10-12-17-14(15)16/h15-16H,4-12H2,1-3H3.
What are the key properties of 10,10-dimethylundecoxyboronic acid?
10,10-dimethylundecoxyboronic acid has a molecular weight of 244.18 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylundecoxyboronic acid is sourced from PubChem (CID 150810313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).