CID 91550490

C15H30BO+ — CID 91550490

IUPAC—
SMILES[B]OC(C)(C)C(C)(C)CCC(C)(C)C([CH2+])(C)C
InChIInChI=1S/C15H30BO/c1-12(2,3)13(4,5)10-11-14(6,7)15(8,9)17-16/h1,10-11H2,2-9H3/q+1
InChIKeyVWFPROANHKYXQQ-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.56
Rot. Bonds6

About CID 91550490

CID 91550490 (PubChem CID 91550490) has the molecular formula C15H30BO+ and a molecular weight of 237.22 g/mol.

Molecular Properties

Compound NameCID 91550490
PubChem CID91550490
Molecular FormulaC15H30BO+
Molecular Weight237.22 g/mol
Exact Mass237.24
IUPAC Name—
SMILES[B]OC(C)(C)C(C)(C)CCC(C)(C)C([CH2+])(C)C
InChIInChI=1S/C15H30BO/c1-12(2,3)13(4,5)10-11-14(6,7)15(8,9)17-16/h1,10-11H2,2-9H3/q+1
InChIKeyVWFPROANHKYXQQ-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 91550490 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 91550490?
The IUPAC name of CID 91550490 (CID 91550490) is not available.
What is the SMILES notation for CID 91550490?
The canonical SMILES for CID 91550490 is [B]OC(C)(C)C(C)(C)CCC(C)(C)C([CH2+])(C)C.
What is the InChIKey of CID 91550490?
The InChIKey is VWFPROANHKYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BO/c1-12(2,3)13(4,5)10-11-14(6,7)15(8,9)17-16/h1,10-11H2,2-9H3/q+1.
What are the key properties of CID 91550490?
CID 91550490 has a molecular weight of 237.22 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91550490 is sourced from PubChem (CID 91550490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).