CID 157385878

C15H32BO — CID 157385878

IUPAC—
SMILESCC.CC.CC1COC2CCCCC[C@H]2C1.[B]
InChIInChI=1S/C11H20O.2C2H6.B/c1-9-7-10-5-3-2-4-6-11(10)12-8-9;2*1-2;/h9-11H,2-8H2,1H3;2*1-2H3;/t9?,10-,11?;;;/m0.../s1
InChIKeyFWJKNRXRAYSIIY-AUUKJPAASA-N
MW239.23 g/mol
LogP4.66
Rot. Bonds

About CID 157385878

CID 157385878 (PubChem CID 157385878) has the molecular formula C15H32BO and a molecular weight of 239.23 g/mol.

Molecular Properties

Compound NameCID 157385878
PubChem CID157385878
Molecular FormulaC15H32BO
Molecular Weight239.23 g/mol
Exact Mass239.25
IUPAC Name—
SMILESCC.CC.CC1COC2CCCCC[C@H]2C1.[B]
InChIInChI=1S/C11H20O.2C2H6.B/c1-9-7-10-5-3-2-4-6-11(10)12-8-9;2*1-2;/h9-11H,2-8H2,1H3;2*1-2H3;/t9?,10-,11?;;;/m0.../s1
InChIKeyFWJKNRXRAYSIIY-AUUKJPAASA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157385878?
The IUPAC name of CID 157385878 (CID 157385878) is not available.
What is the SMILES notation for CID 157385878?
The canonical SMILES for CID 157385878 is CC.CC.CC1COC2CCCCC[C@H]2C1.[B].
What is the InChIKey of CID 157385878?
The InChIKey is FWJKNRXRAYSIIY-AUUKJPAASA-N. The full InChI is InChI=1S/C11H20O.2C2H6.B/c1-9-7-10-5-3-2-4-6-11(10)12-8-9;2*1-2;/h9-11H,2-8H2,1H3;2*1-2H3;/t9?,10-,11?;;;/m0.../s1.
What are the key properties of CID 157385878?
CID 157385878 has a molecular weight of 239.23 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157385878 is sourced from PubChem (CID 157385878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).