Borepane

C6H12B — CID 13258713

IUPAC—
SMILES[B]1CCCCCC1
InChIInChI=1S/C6H12B/c1-2-4-6-7-5-3-1/h1-6H2
InChIKeySQODJVBWYPGBCS-UHFFFAOYSA-N
MW94.97 g/mol
LogP2.10
Rot. Bonds

About Borepane

Borepane (PubChem CID 13258713) has the molecular formula C6H12B and a molecular weight of 94.97 g/mol.

Molecular Properties

Compound NameBorepane
PubChem CID13258713
Molecular FormulaC6H12B
Molecular Weight94.97 g/mol
Exact Mass95.10
IUPAC Name—
SMILES[B]1CCCCCC1
InChIInChI=1S/C6H12B/c1-2-4-6-7-5-3-1/h1-6H2
InChIKeySQODJVBWYPGBCS-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.97
LogP ≤ 52.10
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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CID 13332817
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CID 175842029
CID 174024183
CID 174024183
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
cyclobutane;cyclopropane
CID 159057906
cyclooctacosane
CID 520451
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclooctane
CID 9266
cycloheptane;methane
CID 160881115
cyclobutane;methane
CID 159348077

Frequently Asked Questions

What is the IUPAC name of Borepane?
The IUPAC name of Borepane (CID 13258713) is not available.
What is the SMILES notation for Borepane?
The canonical SMILES for Borepane is [B]1CCCCCC1.
What is the InChIKey of Borepane?
The InChIKey is SQODJVBWYPGBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12B/c1-2-4-6-7-5-3-1/h1-6H2.
What are the key properties of Borepane?
Borepane has a molecular weight of 94.97 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Borepane is sourced from PubChem (CID 13258713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).