CID 100922496

C8H16O4P — CID 100922496

IUPAC—
SMILESCCO/C=[C]/P(=O)(OCC)OCC
InChIInChI=1S/C8H16O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3
InChIKeyVBAQHLCEFJSPKC-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.56
Rot. Bonds7

About CID 100922496

CID 100922496 (PubChem CID 100922496) has the molecular formula C8H16O4P and a molecular weight of 207.19 g/mol.

Molecular Properties

Compound NameCID 100922496
PubChem CID100922496
Molecular FormulaC8H16O4P
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name—
SMILESCCO/C=[C]/P(=O)(OCC)OCC
InChIInChI=1S/C8H16O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3
InChIKeyVBAQHLCEFJSPKC-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 100922496?
The IUPAC name of CID 100922496 (CID 100922496) is not available.
What is the SMILES notation for CID 100922496?
The canonical SMILES for CID 100922496 is CCO/C=[C]/P(=O)(OCC)OCC.
What is the InChIKey of CID 100922496?
The InChIKey is VBAQHLCEFJSPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3.
What are the key properties of CID 100922496?
CID 100922496 has a molecular weight of 207.19 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100922496 is sourced from PubChem (CID 100922496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).