CID 174098001

C13H26B — CID 174098001

IUPAC—
SMILESCCCC[B]C1CCCCCCCC1
InChIInChI=1S/C13H26B/c1-2-3-12-14-13-10-8-6-4-5-7-9-11-13/h13H,2-12H2,1H3
InChIKeyDFGNWYNGQMYFHO-UHFFFAOYSA-N
MW193.16 g/mol
LogP4.83
Rot. Bonds4

About CID 174098001

CID 174098001 (PubChem CID 174098001) has the molecular formula C13H26B and a molecular weight of 193.16 g/mol.

Molecular Properties

Compound NameCID 174098001
PubChem CID174098001
Molecular FormulaC13H26B
Molecular Weight193.16 g/mol
Exact Mass193.21
IUPAC Name—
SMILESCCCC[B]C1CCCCCCCC1
InChIInChI=1S/C13H26B/c1-2-3-12-14-13-10-8-6-4-5-7-9-11-13/h13H,2-12H2,1H3
InChIKeyDFGNWYNGQMYFHO-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 54.83
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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
dodec-1-ynylcycloheptane
CID 11579803
ethane;tris(methylcyclohexane);octane
CID 142912940
cyclopentane;ethane;pentane
CID 143543629
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
cyclobutane;ethane;hexane
CID 143857678
cobalt;cyclooctane;pentane
CID 57373062
alumane;cyclohexane;hexane
CID 175455201
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841

Frequently Asked Questions

What is the IUPAC name of CID 174098001?
The IUPAC name of CID 174098001 (CID 174098001) is not available.
What is the SMILES notation for CID 174098001?
The canonical SMILES for CID 174098001 is CCCC[B]C1CCCCCCCC1.
What is the InChIKey of CID 174098001?
The InChIKey is DFGNWYNGQMYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26B/c1-2-3-12-14-13-10-8-6-4-5-7-9-11-13/h13H,2-12H2,1H3.
What are the key properties of CID 174098001?
CID 174098001 has a molecular weight of 193.16 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174098001 is sourced from PubChem (CID 174098001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).