CID 123431439

C7H16BP — CID 123431439

IUPAC—
SMILES[B]C(C)CCPC(C)C
InChIInChI=1S/C7H16BP/c1-6(2)9-5-4-7(3)8/h6-7,9H,4-5H2,1-3H3
InChIKeyGSMQCGQVHPVZIL-UHFFFAOYSA-N
MW141.99 g/mol
LogP2.44
Rot. Bonds4

About CID 123431439

CID 123431439 (PubChem CID 123431439) has the molecular formula C7H16BP and a molecular weight of 141.99 g/mol.

Molecular Properties

Compound NameCID 123431439
PubChem CID123431439
Molecular FormulaC7H16BP
Molecular Weight141.99 g/mol
Exact Mass142.11
IUPAC Name—
SMILES[B]C(C)CCPC(C)C
InChIInChI=1S/C7H16BP/c1-6(2)9-5-4-7(3)8/h6-7,9H,4-5H2,1-3H3
InChIKeyGSMQCGQVHPVZIL-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.99
LogP ≤ 52.44
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

CID 160839086
CID 160839086
CID 20690308
CID 20690308
CID 20665495
CID 20665495
pentan-2-yl(4-pentan-2-ylphosphanylbutyl)phosphane
CID 19095160
pentan-2-ylsulfanium chloride
CID 172855201
di(propan-2-yl)phosphane;propane
CID 158768506
CID 159823868
CID 159823868
hexa-2,4-dienyl(propan-2-yl)phosphane
CID 141408930
[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane
CID 170213454
4-methylphosphanylbutan-2-amine
CID 170035642
CID 151699977
CID 151699977
CID 173495627
CID 173495627

Frequently Asked Questions

What is the IUPAC name of CID 123431439?
The IUPAC name of CID 123431439 (CID 123431439) is not available.
What is the SMILES notation for CID 123431439?
The canonical SMILES for CID 123431439 is [B]C(C)CCPC(C)C.
What is the InChIKey of CID 123431439?
The InChIKey is GSMQCGQVHPVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BP/c1-6(2)9-5-4-7(3)8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of CID 123431439?
CID 123431439 has a molecular weight of 141.99 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123431439 is sourced from PubChem (CID 123431439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).