CID 59093300

C13H26BO4P — CID 59093300

IUPAC—
SMILES[B]P(C)OCC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C
InChIInChI=1S/C13H26BO4P/c1-5-6-11(2)13(17-10-16-3)9-12(15)7-8-18-19(4)14/h5,11-13,15H,1,6-10H2,2-4H3/t11-,12+,13+,19?/m0/s1
InChIKeyCXADFYNOOMUQIU-HGAVEFOOSA-N
MW288.13 g/mol
LogP2.46
Rot. Bonds12

About CID 59093300

CID 59093300 (PubChem CID 59093300) has the molecular formula C13H26BO4P and a molecular weight of 288.13 g/mol.

Molecular Properties

Compound NameCID 59093300
PubChem CID59093300
Molecular FormulaC13H26BO4P
Molecular Weight288.13 g/mol
Exact Mass288.17
IUPAC Name—
SMILES[B]P(C)OCC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C
InChIInChI=1S/C13H26BO4P/c1-5-6-11(2)13(17-10-16-3)9-12(15)7-8-18-19(4)14/h5,11-13,15H,1,6-10H2,2-4H3/t11-,12+,13+,19?/m0/s1
InChIKeyCXADFYNOOMUQIU-HGAVEFOOSA-N
XLogP2.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59093300?
The IUPAC name of CID 59093300 (CID 59093300) is not available.
What is the SMILES notation for CID 59093300?
The canonical SMILES for CID 59093300 is [B]P(C)OCC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C.
What is the InChIKey of CID 59093300?
The InChIKey is CXADFYNOOMUQIU-HGAVEFOOSA-N. The full InChI is InChI=1S/C13H26BO4P/c1-5-6-11(2)13(17-10-16-3)9-12(15)7-8-18-19(4)14/h5,11-13,15H,1,6-10H2,2-4H3/t11-,12+,13+,19?/m0/s1.
What are the key properties of CID 59093300?
CID 59093300 has a molecular weight of 288.13 g/mol, XLogP of 2.46, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59093300 is sourced from PubChem (CID 59093300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).