CID 174963383

C5H13B — CID 174963383

IUPAC—
SMILES[B]CCCCC.[H][H]
InChIInChI=1S/C5H11B.H2/c1-2-3-4-5-6;/h2-5H2,1H3;1H
InChIKeyPPZFVBQITLAOST-UHFFFAOYSA-N
MW83.97 g/mol
LogP2.01
Rot. Bonds3

About CID 174963383

CID 174963383 (PubChem CID 174963383) has the molecular formula C5H13B and a molecular weight of 83.97 g/mol.

Molecular Properties

Compound NameCID 174963383
PubChem CID174963383
Molecular FormulaC5H13B
Molecular Weight83.97 g/mol
Exact Mass84.11
IUPAC Name—
SMILES[B]CCCCC.[H][H]
InChIInChI=1S/C5H11B.H2/c1-2-3-4-5-6;/h2-5H2,1H3;1H
InChIKeyPPZFVBQITLAOST-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.97
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 161096255
CID 161096255
azane;hexane;molecular hydrogen
CID 143167531
molecular hydrogen;pentane
CID 173460731
triacontane
CID 12535
dictane
CID 19848341
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of CID 174963383?
The IUPAC name of CID 174963383 (CID 174963383) is not available.
What is the SMILES notation for CID 174963383?
The canonical SMILES for CID 174963383 is [B]CCCCC.[H][H].
What is the InChIKey of CID 174963383?
The InChIKey is PPZFVBQITLAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11B.H2/c1-2-3-4-5-6;/h2-5H2,1H3;1H.
What are the key properties of CID 174963383?
CID 174963383 has a molecular weight of 83.97 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174963383 is sourced from PubChem (CID 174963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).