CID 44549311

C11H19BP — CID 44549311

IUPAC—
SMILESCP(C1C=CCC=C1)C(C)(C)C.[B]
InChIInChI=1S/C11H19P.B/c1-11(2,3)12(4)10-8-6-5-7-9-10;/h6-10H,5H2,1-4H3;
InChIKeyBGYTWBHAISVLOP-UHFFFAOYSA-N
MW193.06 g/mol
LogP3.40
Rot. Bonds1

About CID 44549311

CID 44549311 (PubChem CID 44549311) has the molecular formula C11H19BP and a molecular weight of 193.06 g/mol.

Molecular Properties

Compound NameCID 44549311
PubChem CID44549311
Molecular FormulaC11H19BP
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Name—
SMILESCP(C1C=CCC=C1)C(C)(C)C.[B]
InChIInChI=1S/C11H19P.B/c1-11(2,3)12(4)10-8-6-5-7-9-10;/h6-10H,5H2,1-4H3;
InChIKeyBGYTWBHAISVLOP-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 44549311?
The IUPAC name of CID 44549311 (CID 44549311) is not available.
What is the SMILES notation for CID 44549311?
The canonical SMILES for CID 44549311 is CP(C1C=CCC=C1)C(C)(C)C.[B].
What is the InChIKey of CID 44549311?
The InChIKey is BGYTWBHAISVLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19P.B/c1-11(2,3)12(4)10-8-6-5-7-9-10;/h6-10H,5H2,1-4H3;.
What are the key properties of CID 44549311?
CID 44549311 has a molecular weight of 193.06 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44549311 is sourced from PubChem (CID 44549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).