CID 157309210

C14H38BY2-4 — CID 157309210

IUPAC—
SMILESC.CCC.C[C-](C)C.C[C-](C)C.[B].[CH3-].[CH3-].[H][2H].[Y].[Y]
InChIInChI=1S/2C4H9.C3H8.CH4.2CH3.B.2Y.H2/c2*1-4(2)3;1-3-2;;;;;;;/h2*1-3H3;3H2,1-2H3;1H4;2*1H3;;;;1H/q2*-1;;;2*-1;;;;/i;;;;;;;;;1+1
InChIKeySAWJBJHYIJBLDX-AOZJVWGDSA-N
MW396.09 g/mol
LogP6.05
Rot. Bonds

About CID 157309210

CID 157309210 (PubChem CID 157309210) has the molecular formula C14H38BY2-4 and a molecular weight of 396.09 g/mol.

Molecular Properties

Compound NameCID 157309210
PubChem CID157309210
Molecular FormulaC14H38BY2-4
Molecular Weight396.09 g/mol
Exact Mass396.13
IUPAC Name—
SMILESC.CCC.C[C-](C)C.C[C-](C)C.[B].[CH3-].[CH3-].[H][2H].[Y].[Y]
InChIInChI=1S/2C4H9.C3H8.CH4.2CH3.B.2Y.H2/c2*1-4(2)3;1-3-2;;;;;;;/h2*1-3H3;3H2,1-2H3;1H4;2*1H3;;;;1H/q2*-1;;;2*-1;;;;/i;;;;;;;;;1+1
InChIKeySAWJBJHYIJBLDX-AOZJVWGDSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.09
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157309210?
The IUPAC name of CID 157309210 (CID 157309210) is not available.
What is the SMILES notation for CID 157309210?
The canonical SMILES for CID 157309210 is C.CCC.C[C-](C)C.C[C-](C)C.[B].[CH3-].[CH3-].[H][2H].[Y].[Y].
What is the InChIKey of CID 157309210?
The InChIKey is SAWJBJHYIJBLDX-AOZJVWGDSA-N. The full InChI is InChI=1S/2C4H9.C3H8.CH4.2CH3.B.2Y.H2/c2*1-4(2)3;1-3-2;;;;;;;/h2*1-3H3;3H2,1-2H3;1H4;2*1H3;;;;1H/q2*-1;;;2*-1;;;;/i;;;;;;;;;1+1.
What are the key properties of CID 157309210?
CID 157309210 has a molecular weight of 396.09 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157309210 is sourced from PubChem (CID 157309210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).