CID 166497862

C11H23BNO — CID 166497862

IUPAC—
SMILESCC(C)N([B]/C=C/C(C)(C)O)C(C)C
InChIInChI=1S/C11H23BNO/c1-9(2)13(10(3)4)12-8-7-11(5,6)14/h7-10,14H,1-6H3/b8-7+
InChIKeyFHCUOECTKBDHQE-BQYQJAHWSA-N
MW196.12 g/mol
LogP2.01
Rot. Bonds5

About CID 166497862

CID 166497862 (PubChem CID 166497862) has the molecular formula C11H23BNO and a molecular weight of 196.12 g/mol.

Molecular Properties

Compound NameCID 166497862
PubChem CID166497862
Molecular FormulaC11H23BNO
Molecular Weight196.12 g/mol
Exact Mass196.19
IUPAC Name—
SMILESCC(C)N([B]/C=C/C(C)(C)O)C(C)C
InChIInChI=1S/C11H23BNO/c1-9(2)13(10(3)4)12-8-7-11(5,6)14/h7-10,14H,1-6H3/b8-7+
InChIKeyFHCUOECTKBDHQE-BQYQJAHWSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-4-trimethylstannylbut-3-en-2-ol
CID 71401859
3-(dimethylamino)-2-methylbutan-2-ol;ethane
CID 144576524
(3E)-2,5-dimethylhexa-3,5-dien-2-ol
CID 12625790
(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
CID 14866289
(E)-5-methylhex-3-ene-1,2,5-triol
CID 130145462
2,3-dimethyl(213C)butan-2-ol
CID 100985919
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
N-[(Z)-1-[amino(propan-2-yl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
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Frequently Asked Questions

What is the IUPAC name of CID 166497862?
The IUPAC name of CID 166497862 (CID 166497862) is not available.
What is the SMILES notation for CID 166497862?
The canonical SMILES for CID 166497862 is CC(C)N([B]/C=C/C(C)(C)O)C(C)C.
What is the InChIKey of CID 166497862?
The InChIKey is FHCUOECTKBDHQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H23BNO/c1-9(2)13(10(3)4)12-8-7-11(5,6)14/h7-10,14H,1-6H3/b8-7+.
What are the key properties of CID 166497862?
CID 166497862 has a molecular weight of 196.12 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166497862 is sourced from PubChem (CID 166497862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).