CID 159344500

C12H24BO5P — CID 159344500

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)(=O)CC)[C@@H]1OCCOC
InChIInChI=1S/C12H24BO5P/c1-5-9-10(18-19(4,14)6-2)11(12(13)17-9)16-8-7-15-3/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12-,19?/m1/s1
InChIKeyMEZOZPMDONWLSU-AEYPMXFHSA-N
MW290.11 g/mol
LogP1.63
Rot. Bonds8

About CID 159344500

CID 159344500 (PubChem CID 159344500) has the molecular formula C12H24BO5P and a molecular weight of 290.11 g/mol.

Molecular Properties

Compound NameCID 159344500
PubChem CID159344500
Molecular FormulaC12H24BO5P
Molecular Weight290.11 g/mol
Exact Mass290.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(OP(C)(=O)CC)[C@@H]1OCCOC
InChIInChI=1S/C12H24BO5P/c1-5-9-10(18-19(4,14)6-2)11(12(13)17-9)16-8-7-15-3/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12-,19?/m1/s1
InChIKeyMEZOZPMDONWLSU-AEYPMXFHSA-N
XLogP1.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(7S)-6-[2-[2-[[(7R)-8,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxy]ethoxy]ethoxy]-8,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decane
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Frequently Asked Questions

What is the IUPAC name of CID 159344500?
The IUPAC name of CID 159344500 (CID 159344500) is not available.
What is the SMILES notation for CID 159344500?
The canonical SMILES for CID 159344500 is [B][C@@H]1O[C@H](CC)C(OP(C)(=O)CC)[C@@H]1OCCOC.
What is the InChIKey of CID 159344500?
The InChIKey is MEZOZPMDONWLSU-AEYPMXFHSA-N. The full InChI is InChI=1S/C12H24BO5P/c1-5-9-10(18-19(4,14)6-2)11(12(13)17-9)16-8-7-15-3/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12-,19?/m1/s1.
What are the key properties of CID 159344500?
CID 159344500 has a molecular weight of 290.11 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159344500 is sourced from PubChem (CID 159344500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).