CID 163232916

C13H22B — CID 163232916

IUPAC—
SMILESCC.C[B]c1cc(C(C)C)ccc1C
InChIInChI=1S/C11H16B.C2H6/c1-8(2)10-6-5-9(3)11(7-10)12-4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWELKAHPWQBDFBV-UHFFFAOYSA-N
MW189.13 g/mol
LogP3.52
Rot. Bonds2

About CID 163232916

CID 163232916 (PubChem CID 163232916) has the molecular formula C13H22B and a molecular weight of 189.13 g/mol.

Molecular Properties

Compound NameCID 163232916
PubChem CID163232916
Molecular FormulaC13H22B
Molecular Weight189.13 g/mol
Exact Mass189.18
IUPAC Name—
SMILESCC.C[B]c1cc(C(C)C)ccc1C
InChIInChI=1S/C11H16B.C2H6/c1-8(2)10-6-5-9(3)11(7-10)12-4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyWELKAHPWQBDFBV-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
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1,4-dimethyl-6-propan-2-ylazulene
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(2-methyl-5-propan-2-ylphenyl)methanethiol
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ethane;2-methyl-5-propan-2-ylbenzonitrile
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2-methyl-5-propan-2-ylaniline;hydrochloride
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2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
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2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
CID 116866612

Frequently Asked Questions

What is the IUPAC name of CID 163232916?
The IUPAC name of CID 163232916 (CID 163232916) is not available.
What is the SMILES notation for CID 163232916?
The canonical SMILES for CID 163232916 is CC.C[B]c1cc(C(C)C)ccc1C.
What is the InChIKey of CID 163232916?
The InChIKey is WELKAHPWQBDFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16B.C2H6/c1-8(2)10-6-5-9(3)11(7-10)12-4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of CID 163232916?
CID 163232916 has a molecular weight of 189.13 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163232916 is sourced from PubChem (CID 163232916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).