CID 174914977

C6H12B — CID 174914977

IUPAC—
SMILES[BH]C1CCCCC1
InChIInChI=1S/C6H12B/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyVKDGZZMJYCGUCN-UHFFFAOYSA-N
MW94.97 g/mol
LogP1.64
Rot. Bonds

About CID 174914977

CID 174914977 (PubChem CID 174914977) has the molecular formula C6H12B and a molecular weight of 94.97 g/mol.

Molecular Properties

Compound NameCID 174914977
PubChem CID174914977
Molecular FormulaC6H12B
Molecular Weight94.97 g/mol
Exact Mass95.10
IUPAC Name—
SMILES[BH]C1CCCCC1
InChIInChI=1S/C6H12B/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyVKDGZZMJYCGUCN-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174914977?
The IUPAC name of CID 174914977 (CID 174914977) is not available.
What is the SMILES notation for CID 174914977?
The canonical SMILES for CID 174914977 is [BH]C1CCCCC1.
What is the InChIKey of CID 174914977?
The InChIKey is VKDGZZMJYCGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12B/c7-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of CID 174914977?
CID 174914977 has a molecular weight of 94.97 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174914977 is sourced from PubChem (CID 174914977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).