CID 102049156

C16H35NO4P — CID 102049156

IUPAC—
SMILESCCCCC(CC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C16H35NO4P/c1-8-12-13-14(9-2)15(17(18)16(5,6)7)22(19,20-10-3)21-11-4/h14-15H,8-13H2,1-7H3
InChIKeyUJKNEISPBBNBEG-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.24
Rot. Bonds11

About CID 102049156

CID 102049156 (PubChem CID 102049156) has the molecular formula C16H35NO4P and a molecular weight of 336.43 g/mol.

Molecular Properties

Compound NameCID 102049156
PubChem CID102049156
Molecular FormulaC16H35NO4P
Molecular Weight336.43 g/mol
Exact Mass336.23
IUPAC Name—
SMILESCCCCC(CC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C16H35NO4P/c1-8-12-13-14(9-2)15(17(18)16(5,6)7)22(19,20-10-3)21-11-4/h14-15H,8-13H2,1-7H3
InChIKeyUJKNEISPBBNBEG-UHFFFAOYSA-N
XLogP5.24
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.24
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102049156?
The IUPAC name of CID 102049156 (CID 102049156) is not available.
What is the SMILES notation for CID 102049156?
The canonical SMILES for CID 102049156 is CCCCC(CC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of CID 102049156?
The InChIKey is UJKNEISPBBNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4P/c1-8-12-13-14(9-2)15(17(18)16(5,6)7)22(19,20-10-3)21-11-4/h14-15H,8-13H2,1-7H3.
What are the key properties of CID 102049156?
CID 102049156 has a molecular weight of 336.43 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102049156 is sourced from PubChem (CID 102049156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).