CID 46939614

C10H23BP — CID 46939614

IUPAC—
SMILESCP(C)C(C)(C)CC(C)(C)C.[B]
InChIInChI=1S/C10H23P.B/c1-9(2,3)8-10(4,5)11(6)7;/h8H2,1-7H3;
InChIKeyMOAMHICWJUBSRZ-UHFFFAOYSA-N
MW185.08 g/mol
LogP3.56
Rot. Bonds2

About CID 46939614

CID 46939614 (PubChem CID 46939614) has the molecular formula C10H23BP and a molecular weight of 185.08 g/mol.

Molecular Properties

Compound NameCID 46939614
PubChem CID46939614
Molecular FormulaC10H23BP
Molecular Weight185.08 g/mol
Exact Mass185.16
IUPAC Name—
SMILESCP(C)C(C)(C)CC(C)(C)C.[B]
InChIInChI=1S/C10H23P.B/c1-9(2,3)8-10(4,5)11(6)7;/h8H2,1-7H3;
InChIKeyMOAMHICWJUBSRZ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of CID 46939614?
The IUPAC name of CID 46939614 (CID 46939614) is not available.
What is the SMILES notation for CID 46939614?
The canonical SMILES for CID 46939614 is CP(C)C(C)(C)CC(C)(C)C.[B].
What is the InChIKey of CID 46939614?
The InChIKey is MOAMHICWJUBSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23P.B/c1-9(2,3)8-10(4,5)11(6)7;/h8H2,1-7H3;.
What are the key properties of CID 46939614?
CID 46939614 has a molecular weight of 185.08 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46939614 is sourced from PubChem (CID 46939614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).