CID 158346481

C13H26BO5P — CID 158346481

IUPAC—
SMILES[B][C@@H]1O[C@H](CCP(=O)(O)OC(C)C)C(OC(C)C)[C@@H]1C
InChIInChI=1S/C13H26BO5P/c1-8(2)17-12-10(5)13(14)18-11(12)6-7-20(15,16)19-9(3)4/h8-13H,6-7H2,1-5H3,(H,15,16)/t10-,11+,12?,13+/m0/s1
InChIKeyCWXXLDFGEYPBBP-BKTIPYHCSA-N
MW304.13 g/mol
LogP2.31
Rot. Bonds7

About CID 158346481

CID 158346481 (PubChem CID 158346481) has the molecular formula C13H26BO5P and a molecular weight of 304.13 g/mol.

Molecular Properties

Compound NameCID 158346481
PubChem CID158346481
Molecular FormulaC13H26BO5P
Molecular Weight304.13 g/mol
Exact Mass304.16
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CCP(=O)(O)OC(C)C)C(OC(C)C)[C@@H]1C
InChIInChI=1S/C13H26BO5P/c1-8(2)17-12-10(5)13(14)18-11(12)6-7-20(15,16)19-9(3)4/h8-13H,6-7H2,1-5H3,(H,15,16)/t10-,11+,12?,13+/m0/s1
InChIKeyCWXXLDFGEYPBBP-BKTIPYHCSA-N
XLogP2.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 158346481?
The IUPAC name of CID 158346481 (CID 158346481) is not available.
What is the SMILES notation for CID 158346481?
The canonical SMILES for CID 158346481 is [B][C@@H]1O[C@H](CCP(=O)(O)OC(C)C)C(OC(C)C)[C@@H]1C.
What is the InChIKey of CID 158346481?
The InChIKey is CWXXLDFGEYPBBP-BKTIPYHCSA-N. The full InChI is InChI=1S/C13H26BO5P/c1-8(2)17-12-10(5)13(14)18-11(12)6-7-20(15,16)19-9(3)4/h8-13H,6-7H2,1-5H3,(H,15,16)/t10-,11+,12?,13+/m0/s1.
What are the key properties of CID 158346481?
CID 158346481 has a molecular weight of 304.13 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158346481 is sourced from PubChem (CID 158346481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).