CID 87270258

C4H11KO4P — CID 87270258

IUPAC—
SMILESCCCCOP(=O)(O)O.[K]
InChIInChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);
InChIKeyVBLHFBMGDHFVAJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.51
Rot. Bonds4

About CID 87270258

CID 87270258 (PubChem CID 87270258) has the molecular formula C4H11KO4P and a molecular weight of 193.20 g/mol.

Molecular Properties

Compound NameCID 87270258
PubChem CID87270258
Molecular FormulaC4H11KO4P
Molecular Weight193.20 g/mol
Exact Mass193.00
IUPAC Name—
SMILESCCCCOP(=O)(O)O.[K]
InChIInChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);
InChIKeyVBLHFBMGDHFVAJ-UHFFFAOYSA-N
XLogP0.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87270258?
The IUPAC name of CID 87270258 (CID 87270258) is not available.
What is the SMILES notation for CID 87270258?
The canonical SMILES for CID 87270258 is CCCCOP(=O)(O)O.[K].
What is the InChIKey of CID 87270258?
The InChIKey is VBLHFBMGDHFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);.
What are the key properties of CID 87270258?
CID 87270258 has a molecular weight of 193.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87270258 is sourced from PubChem (CID 87270258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).