CID 134956970

C5H13BOP+ — CID 134956970

IUPAC—
SMILES[B][P+](C)(O)C(C)(C)C
InChIInChI=1S/C5H13BOP/c1-5(2,3)8(4,6)7/h7H,1-4H3/q+1
InChIKeyIQLPCGNMPCKBKQ-UHFFFAOYSA-N
MW130.94 g/mol
LogP1.42
Rot. Bonds

About CID 134956970

CID 134956970 (PubChem CID 134956970) has the molecular formula C5H13BOP+ and a molecular weight of 130.94 g/mol.

Molecular Properties

Compound NameCID 134956970
PubChem CID134956970
Molecular FormulaC5H13BOP+
Molecular Weight130.94 g/mol
Exact Mass131.08
IUPAC Name—
SMILES[B][P+](C)(O)C(C)(C)C
InChIInChI=1S/C5H13BOP/c1-5(2,3)8(4,6)7/h7H,1-4H3/q+1
InChIKeyIQLPCGNMPCKBKQ-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.94
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 18462529
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CID 25200171
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chromium;tetrakis(ethane-1,1-diol)
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Frequently Asked Questions

What is the IUPAC name of CID 134956970?
The IUPAC name of CID 134956970 (CID 134956970) is not available.
What is the SMILES notation for CID 134956970?
The canonical SMILES for CID 134956970 is [B][P+](C)(O)C(C)(C)C.
What is the InChIKey of CID 134956970?
The InChIKey is IQLPCGNMPCKBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BOP/c1-5(2,3)8(4,6)7/h7H,1-4H3/q+1.
What are the key properties of CID 134956970?
CID 134956970 has a molecular weight of 130.94 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134956970 is sourced from PubChem (CID 134956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).