CID 10470856

C10H22NO6P2 — CID 10470856

IUPAC—
SMILESCCOP(C/C(=N\[O])P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H22NO6P2/c1-5-14-18(15-6-2)9-10(11-12)19(13,16-7-3)17-8-4/h5-9H2,1-4H3/b11-10+
InChIKeyRNSRPYVHLBUYCI-ZHACJKMWSA-N
MW314.24 g/mol
LogP3.38
Rot. Bonds11

About CID 10470856

CID 10470856 (PubChem CID 10470856) has the molecular formula C10H22NO6P2 and a molecular weight of 314.24 g/mol.

Molecular Properties

Compound NameCID 10470856
PubChem CID10470856
Molecular FormulaC10H22NO6P2
Molecular Weight314.24 g/mol
Exact Mass314.09
IUPAC Name—
SMILESCCOP(C/C(=N\[O])P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H22NO6P2/c1-5-14-18(15-6-2)9-10(11-12)19(13,16-7-3)17-8-4/h5-9H2,1-4H3/b11-10+
InChIKeyRNSRPYVHLBUYCI-ZHACJKMWSA-N
XLogP3.38
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane
CID 13383716
bis(diethoxyphosphoryl)methanimine
CID 87803281
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037
2-diethoxyphosphorylpent-1-ene
CID 11844671
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
1-chloro-1-diethoxyphosphorylethene
CID 11481045
1-diethoxyphosphoryl-N-propan-2-ylethanimine
CID 151285044
2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
CID 87617764
CID 131882906
CID 131882906

Frequently Asked Questions

What is the IUPAC name of CID 10470856?
The IUPAC name of CID 10470856 (CID 10470856) is not available.
What is the SMILES notation for CID 10470856?
The canonical SMILES for CID 10470856 is CCOP(C/C(=N\[O])P(=O)(OCC)OCC)OCC.
What is the InChIKey of CID 10470856?
The InChIKey is RNSRPYVHLBUYCI-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22NO6P2/c1-5-14-18(15-6-2)9-10(11-12)19(13,16-7-3)17-8-4/h5-9H2,1-4H3/b11-10+.
What are the key properties of CID 10470856?
CID 10470856 has a molecular weight of 314.24 g/mol, XLogP of 3.38, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10470856 is sourced from PubChem (CID 10470856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).