CID 59979300

C12H27NO4P — CID 59979300

IUPAC—
SMILESCCOP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3
InChIKeyVXOKWKLKUOBLBQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.68
Rot. Bonds5

About CID 59979300

CID 59979300 (PubChem CID 59979300) has the molecular formula C12H27NO4P and a molecular weight of 280.32 g/mol.

Molecular Properties

Compound NameCID 59979300
PubChem CID59979300
Molecular FormulaC12H27NO4P
Molecular Weight280.32 g/mol
Exact Mass280.17
IUPAC Name—
SMILESCCOP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3
InChIKeyVXOKWKLKUOBLBQ-UHFFFAOYSA-N
XLogP3.68
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 59979300?
The IUPAC name of CID 59979300 (CID 59979300) is not available.
What is the SMILES notation for CID 59979300?
The canonical SMILES for CID 59979300 is CCOP(=O)(OC)C(N([O])C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 59979300?
The InChIKey is VXOKWKLKUOBLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10H,9H2,1-8H3.
What are the key properties of CID 59979300?
CID 59979300 has a molecular weight of 280.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59979300 is sourced from PubChem (CID 59979300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).