CID 140623001

C11H22BO6P — CID 140623001

IUPAC—
SMILES[B]C1CC(OP(=O)(O)OCCCO)C(C(C)(C)C)O1
InChIInChI=1S/C11H22BO6P/c1-11(2,3)10-8(7-9(12)17-10)18-19(14,15)16-6-4-5-13/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyOBMROCKRFBWWEC-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.20
Rot. Bonds6

About CID 140623001

CID 140623001 (PubChem CID 140623001) has the molecular formula C11H22BO6P and a molecular weight of 292.08 g/mol.

Molecular Properties

Compound NameCID 140623001
PubChem CID140623001
Molecular FormulaC11H22BO6P
Molecular Weight292.08 g/mol
Exact Mass292.12
IUPAC Name—
SMILES[B]C1CC(OP(=O)(O)OCCCO)C(C(C)(C)C)O1
InChIInChI=1S/C11H22BO6P/c1-11(2,3)10-8(7-9(12)17-10)18-19(14,15)16-6-4-5-13/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyOBMROCKRFBWWEC-UHFFFAOYSA-N
XLogP1.20
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of CID 140623001?
The IUPAC name of CID 140623001 (CID 140623001) is not available.
What is the SMILES notation for CID 140623001?
The canonical SMILES for CID 140623001 is [B]C1CC(OP(=O)(O)OCCCO)C(C(C)(C)C)O1.
What is the InChIKey of CID 140623001?
The InChIKey is OBMROCKRFBWWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BO6P/c1-11(2,3)10-8(7-9(12)17-10)18-19(14,15)16-6-4-5-13/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of CID 140623001?
CID 140623001 has a molecular weight of 292.08 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140623001 is sourced from PubChem (CID 140623001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).