CID 10935280

C13H29NO4P — CID 10935280

IUPAC—
SMILESCCOP(=O)(OCC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11H,9-10H2,1-8H3
InChIKeyXVWOLKBRGCIQGK-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.07
Rot. Bonds6

About CID 10935280

CID 10935280 (PubChem CID 10935280) has the molecular formula C13H29NO4P and a molecular weight of 294.35 g/mol.

Molecular Properties

Compound NameCID 10935280
PubChem CID10935280
Molecular FormulaC13H29NO4P
Molecular Weight294.35 g/mol
Exact Mass294.18
IUPAC Name—
SMILESCCOP(=O)(OCC)C(N([O])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11H,9-10H2,1-8H3
InChIKeyXVWOLKBRGCIQGK-UHFFFAOYSA-N
XLogP4.07
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.07
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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CID 102573066
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N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
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CID 102049156
CID 102049156
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
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N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 23143931
sodium 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 11407007
1-diethoxyphosphorylethanamine
CID 5149858
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
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3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 163621446

Frequently Asked Questions

What is the IUPAC name of CID 10935280?
The IUPAC name of CID 10935280 (CID 10935280) is not available.
What is the SMILES notation for CID 10935280?
The canonical SMILES for CID 10935280 is CCOP(=O)(OCC)C(N([O])C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 10935280?
The InChIKey is XVWOLKBRGCIQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11H,9-10H2,1-8H3.
What are the key properties of CID 10935280?
CID 10935280 has a molecular weight of 294.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10935280 is sourced from PubChem (CID 10935280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).