CID 59071946

C3H8BP — CID 59071946

IUPAC—
SMILES[B]CCCP
InChIInChI=1S/C3H8BP/c4-2-1-3-5/h1-3,5H2
InChIKeyIXXXREOBZNFAAC-UHFFFAOYSA-N
MW85.88 g/mol
LogP0.84
Rot. Bonds2

About CID 59071946

CID 59071946 (PubChem CID 59071946) has the molecular formula C3H8BP and a molecular weight of 85.88 g/mol.

Molecular Properties

Compound NameCID 59071946
PubChem CID59071946
Molecular FormulaC3H8BP
Molecular Weight85.88 g/mol
Exact Mass86.05
IUPAC Name—
SMILES[B]CCCP
InChIInChI=1S/C3H8BP/c4-2-1-3-5/h1-3,5H2
InChIKeyIXXXREOBZNFAAC-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.88
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phosphanylbutylphosphane
CID 10986207
3-arsanylpropylphosphane
CID 174461353
CID 161096255
CID 161096255
3-(3-phosphanylpropylsilyl)propylphosphane
CID 123343003
3-phosphanylpropan-1-ol;hydrate
CID 174643643
4-iodobutylphosphane
CID 89165611
2-(3-phosphanylpropylsulfanyl)ethanol
CID 134255121
6-chlorohexylphosphane
CID 150562107
CID 123195994
CID 123195994
decylphosphane;hydrate
CID 175258156
nonylphosphane;hydrobromide
CID 173198265
ruthenium;tridecylphosphane
CID 159569065

Frequently Asked Questions

What is the IUPAC name of CID 59071946?
The IUPAC name of CID 59071946 (CID 59071946) is not available.
What is the SMILES notation for CID 59071946?
The canonical SMILES for CID 59071946 is [B]CCCP.
What is the InChIKey of CID 59071946?
The InChIKey is IXXXREOBZNFAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BP/c4-2-1-3-5/h1-3,5H2.
What are the key properties of CID 59071946?
CID 59071946 has a molecular weight of 85.88 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59071946 is sourced from PubChem (CID 59071946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).