CID 158393590

C6H16B — CID 158393590

IUPAC—
SMILESCC.CC[B]CC
InChIInChI=1S/C4H10B.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyRQGXMQTYJOTRCG-UHFFFAOYSA-N
MW99.01 g/mol
LogP2.59
Rot. Bonds2

About CID 158393590

CID 158393590 (PubChem CID 158393590) has the molecular formula C6H16B and a molecular weight of 99.01 g/mol.

Molecular Properties

Compound NameCID 158393590
PubChem CID158393590
Molecular FormulaC6H16B
Molecular Weight99.01 g/mol
Exact Mass99.13
IUPAC Name—
SMILESCC.CC[B]CC
InChIInChI=1S/C4H10B.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyRQGXMQTYJOTRCG-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.01
LogP ≤ 52.59
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 158393590?
The IUPAC name of CID 158393590 (CID 158393590) is not available.
What is the SMILES notation for CID 158393590?
The canonical SMILES for CID 158393590 is CC.CC[B]CC.
What is the InChIKey of CID 158393590?
The InChIKey is RQGXMQTYJOTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10B.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of CID 158393590?
CID 158393590 has a molecular weight of 99.01 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158393590 is sourced from PubChem (CID 158393590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).