CID 171562402

C11H25B — CID 171562402

IUPAC—
SMILESCCCCC.[B]C(C)CCCC
InChIInChI=1S/C6H13B.C5H12/c1-3-4-5-6(2)7;1-3-5-4-2/h6H,3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyKIIPZGJZOSMSAE-UHFFFAOYSA-N
MW168.13 g/mol
LogP4.35
Rot. Bonds5

About CID 171562402

CID 171562402 (PubChem CID 171562402) has the molecular formula C11H25B and a molecular weight of 168.13 g/mol.

Molecular Properties

Compound NameCID 171562402
PubChem CID171562402
Molecular FormulaC11H25B
Molecular Weight168.13 g/mol
Exact Mass168.20
IUPAC Name—
SMILESCCCCC.[B]C(C)CCCC
InChIInChI=1S/C6H13B.C5H12/c1-3-4-5-6(2)7;1-3-5-4-2/h6H,3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyKIIPZGJZOSMSAE-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 54.35
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

tributyl(methyl)phosphanium
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dibutyl-ethyl-methylphosphanium
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2-methylhexane;dihydrate
CID 155319003
tributyl(methyl)phosphanium iodide
CID 2760114
2-methylhexane;hydrochloride
CID 172797630
hexan-2-yl(dimethyl)silane;hydrate
CID 158312164
CID 91544051
CID 91544051
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of CID 171562402?
The IUPAC name of CID 171562402 (CID 171562402) is not available.
What is the SMILES notation for CID 171562402?
The canonical SMILES for CID 171562402 is CCCCC.[B]C(C)CCCC.
What is the InChIKey of CID 171562402?
The InChIKey is KIIPZGJZOSMSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13B.C5H12/c1-3-4-5-6(2)7;1-3-5-4-2/h6H,3-5H2,1-2H3;3-5H2,1-2H3.
What are the key properties of CID 171562402?
CID 171562402 has a molecular weight of 168.13 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171562402 is sourced from PubChem (CID 171562402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).