CID 163793293

C16H28BO — CID 163793293

IUPAC—
SMILESCC(C)C.CC(C)C.[B].c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.2C4H10.B/c1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3;/h1-4H,5-6H2;2*4H,1-3H3;
InChIKeyZICNROVDVGSWBB-UHFFFAOYSA-N
MW247.21 g/mol
LogP4.57
Rot. Bonds

About CID 163793293

CID 163793293 (PubChem CID 163793293) has the molecular formula C16H28BO and a molecular weight of 247.21 g/mol.

Molecular Properties

Compound NameCID 163793293
PubChem CID163793293
Molecular FormulaC16H28BO
Molecular Weight247.21 g/mol
Exact Mass247.22
IUPAC Name—
SMILESCC(C)C.CC(C)C.[B].c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.2C4H10.B/c1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3;/h1-4H,5-6H2;2*4H,1-3H3;
InChIKeyZICNROVDVGSWBB-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dihydro-1-benzofuran;ethane
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bromomethane;2,3-dihydro-1-benzofuran
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2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
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deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
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1-chloropentane;2,3-dihydro-1-benzofuran
CID 175276698
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;bis(2,3-dihydrofuro[2,3-c]pyridine);tetrakis(2-methylpropane)
CID 159295259
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
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Frequently Asked Questions

What is the IUPAC name of CID 163793293?
The IUPAC name of CID 163793293 (CID 163793293) is not available.
What is the SMILES notation for CID 163793293?
The canonical SMILES for CID 163793293 is CC(C)C.CC(C)C.[B].c1ccc2c(c1)CCO2.
What is the InChIKey of CID 163793293?
The InChIKey is ZICNROVDVGSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.2C4H10.B/c1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3;/h1-4H,5-6H2;2*4H,1-3H3;.
What are the key properties of CID 163793293?
CID 163793293 has a molecular weight of 247.21 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163793293 is sourced from PubChem (CID 163793293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).