CID 134902491

C14H22BOYb- — CID 134902491

IUPAC—
SMILESC1CCOC1.[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb]
InChIInChI=1S/2C5H5.C4H8O.BH4.Yb/c3*1-2-4-5-3-1;;/h2*1-5H;1-4H2;1H4;/q;;;-1;
InChIKeyUHEJAGVKBRFORK-UHFFFAOYSA-N
MW390.18 g/mol
LogP1.39
Rot. Bonds

About CID 134902491

CID 134902491 (PubChem CID 134902491) has the molecular formula C14H22BOYb- and a molecular weight of 390.18 g/mol.

Molecular Properties

Compound NameCID 134902491
PubChem CID134902491
Molecular FormulaC14H22BOYb-
Molecular Weight390.18 g/mol
Exact Mass391.12
IUPAC Name—
SMILESC1CCOC1.[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb]
InChIInChI=1S/2C5H5.C4H8O.BH4.Yb/c3*1-2-4-5-3-1;;/h2*1-5H;1-4H2;1H4;/q;;;-1;
InChIKeyUHEJAGVKBRFORK-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 134902405
CID 134902405
CID 135046697
CID 135046697
manganese;oxolane
CID 70504486
manganese;oxane
CID 67062735
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of CID 134902491?
The IUPAC name of CID 134902491 (CID 134902491) is not available.
What is the SMILES notation for CID 134902491?
The canonical SMILES for CID 134902491 is C1CCOC1.[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].
What is the InChIKey of CID 134902491?
The InChIKey is UHEJAGVKBRFORK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H8O.BH4.Yb/c3*1-2-4-5-3-1;;/h2*1-5H;1-4H2;1H4;/q;;;-1;.
What are the key properties of CID 134902491?
CID 134902491 has a molecular weight of 390.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902491 is sourced from PubChem (CID 134902491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).