CID 58418980

C12H27NO3P — CID 58418980

IUPAC—
SMILESCCOP(C)(=O)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO3P/c1-9-16-17(8,15)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3
InChIKeyJTFMCYOGTPAOQQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.75
Rot. Bonds4

About CID 58418980

CID 58418980 (PubChem CID 58418980) has the molecular formula C12H27NO3P and a molecular weight of 264.33 g/mol.

Molecular Properties

Compound NameCID 58418980
PubChem CID58418980
Molecular FormulaC12H27NO3P
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name—
SMILESCCOP(C)(=O)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO3P/c1-9-16-17(8,15)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3
InChIKeyJTFMCYOGTPAOQQ-UHFFFAOYSA-N
XLogP3.75
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58418980?
The IUPAC name of CID 58418980 (CID 58418980) is not available.
What is the SMILES notation for CID 58418980?
The canonical SMILES for CID 58418980 is CCOP(C)(=O)C(N([O])C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 58418980?
The InChIKey is JTFMCYOGTPAOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3P/c1-9-16-17(8,15)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3.
What are the key properties of CID 58418980?
CID 58418980 has a molecular weight of 264.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58418980 is sourced from PubChem (CID 58418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).