CID 157325949

C14H25B2NO5 — CID 157325949

IUPAC—
SMILES[B][C@H]1CC(OC)[C@@H](CNCCOC2C[C@H]([B])O[C@@H]2COC)O1
InChIInChI=1S/C14H25B2NO5/c1-18-8-12-10(6-14(16)22-12)20-4-3-17-7-11-9(19-2)5-13(15)21-11/h9-14,17H,3-8H2,1-2H3/t9?,10?,11-,12-,13-,14-/m1/s1
InChIKeyVQQWSTOBCKPVBG-LWENGXMVSA-N
MW308.98 g/mol
LogP-0.81
Rot. Bonds9

About CID 157325949

CID 157325949 (PubChem CID 157325949) has the molecular formula C14H25B2NO5 and a molecular weight of 308.98 g/mol.

Molecular Properties

Compound NameCID 157325949
PubChem CID157325949
Molecular FormulaC14H25B2NO5
Molecular Weight308.98 g/mol
Exact Mass309.19
IUPAC Name—
SMILES[B][C@H]1CC(OC)[C@@H](CNCCOC2C[C@H]([B])O[C@@H]2COC)O1
InChIInChI=1S/C14H25B2NO5/c1-18-8-12-10(6-14(16)22-12)20-4-3-17-7-11-9(19-2)5-13(15)21-11/h9-14,17H,3-8H2,1-2H3/t9?,10?,11-,12-,13-,14-/m1/s1
InChIKeyVQQWSTOBCKPVBG-LWENGXMVSA-N
XLogP-0.81
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.98
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157325949?
The IUPAC name of CID 157325949 (CID 157325949) is not available.
What is the SMILES notation for CID 157325949?
The canonical SMILES for CID 157325949 is [B][C@H]1CC(OC)[C@@H](CNCCOC2C[C@H]([B])O[C@@H]2COC)O1.
What is the InChIKey of CID 157325949?
The InChIKey is VQQWSTOBCKPVBG-LWENGXMVSA-N. The full InChI is InChI=1S/C14H25B2NO5/c1-18-8-12-10(6-14(16)22-12)20-4-3-17-7-11-9(19-2)5-13(15)21-11/h9-14,17H,3-8H2,1-2H3/t9?,10?,11-,12-,13-,14-/m1/s1.
What are the key properties of CID 157325949?
CID 157325949 has a molecular weight of 308.98 g/mol, XLogP of -0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157325949 is sourced from PubChem (CID 157325949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).