CID 156634462

C10H23B2O3 — CID 156634462

IUPAC—
SMILESCCCCCCCCCCB(O)O[B]O
InChIInChI=1S/C10H23B2O3/c1-2-3-4-5-6-7-8-9-10-12(14)15-11-13/h13-14H,2-10H2,1H3
InChIKeySRWINGVQBOJUCK-UHFFFAOYSA-N
MW212.91 g/mol
LogP2.15
Rot. Bonds11

About CID 156634462

CID 156634462 (PubChem CID 156634462) has the molecular formula C10H23B2O3 and a molecular weight of 212.91 g/mol.

Molecular Properties

Compound NameCID 156634462
PubChem CID156634462
Molecular FormulaC10H23B2O3
Molecular Weight212.91 g/mol
Exact Mass213.18
IUPAC Name—
SMILESCCCCCCCCCCB(O)O[B]O
InChIInChI=1S/C10H23B2O3/c1-2-3-4-5-6-7-8-9-10-12(14)15-11-13/h13-14H,2-10H2,1H3
InChIKeySRWINGVQBOJUCK-UHFFFAOYSA-N
XLogP2.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.91
LogP ≤ 52.15
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

CID 156634460
CID 156634460
tetradecylboronic acid
CID 3528229
octadecylboronic acid
CID 521161
aminooxy(pentyl)borinic acid
CID 88633345
CID 175209304
CID 175209304
CID 158911763
CID 158911763
decane;ruthenium
CID 160818595
CID 131878919
CID 131878919
tri(nonyl)borane
CID 12793706
methanol;undecane
CID 161373911
heptyl(dimethyl)borane
CID 123843147
pentadecoxymethylboronic acid
CID 151152394

Frequently Asked Questions

What is the IUPAC name of CID 156634462?
The IUPAC name of CID 156634462 (CID 156634462) is not available.
What is the SMILES notation for CID 156634462?
The canonical SMILES for CID 156634462 is CCCCCCCCCCB(O)O[B]O.
What is the InChIKey of CID 156634462?
The InChIKey is SRWINGVQBOJUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23B2O3/c1-2-3-4-5-6-7-8-9-10-12(14)15-11-13/h13-14H,2-10H2,1H3.
What are the key properties of CID 156634462?
CID 156634462 has a molecular weight of 212.91 g/mol, XLogP of 2.15, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156634462 is sourced from PubChem (CID 156634462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).