CID 102573066

C13H30NO7P2 — CID 102573066

IUPAC—
SMILESCCOP(=O)(OCC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30NO7P2/c1-8-18-22(16,19-9-2)12(14(15)13(5,6)7)23(17,20-10-3)21-11-4/h12H,8-11H2,1-7H3
InChIKeyJRTSZYZBRKYXDE-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.25
Rot. Bonds11

About CID 102573066

CID 102573066 (PubChem CID 102573066) has the molecular formula C13H30NO7P2 and a molecular weight of 374.33 g/mol.

Molecular Properties

Compound NameCID 102573066
PubChem CID102573066
Molecular FormulaC13H30NO7P2
Molecular Weight374.33 g/mol
Exact Mass374.15
IUPAC Name—
SMILESCCOP(=O)(OCC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30NO7P2/c1-8-18-22(16,19-9-2)12(14(15)13(5,6)7)23(17,20-10-3)21-11-4/h12H,8-11H2,1-7H3
InChIKeyJRTSZYZBRKYXDE-UHFFFAOYSA-N
XLogP4.25
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

CID 10935280
CID 10935280
CID 102049156
CID 102049156
1-diethoxyphosphorylethanamine
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N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
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1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
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2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
N-diethoxyphosphinothioyl-N-diethoxyphosphoryl-2-methylpropan-2-amine
CID 23416086
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
2-diethoxyphosphorylbutane
CID 2733649
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232

Frequently Asked Questions

What is the IUPAC name of CID 102573066?
The IUPAC name of CID 102573066 (CID 102573066) is not available.
What is the SMILES notation for CID 102573066?
The canonical SMILES for CID 102573066 is CCOP(=O)(OCC)C(N([O])C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of CID 102573066?
The InChIKey is JRTSZYZBRKYXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO7P2/c1-8-18-22(16,19-9-2)12(14(15)13(5,6)7)23(17,20-10-3)21-11-4/h12H,8-11H2,1-7H3.
What are the key properties of CID 102573066?
CID 102573066 has a molecular weight of 374.33 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102573066 is sourced from PubChem (CID 102573066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).