CID 158105337

C10H20N2NaO8 — CID 158105337

IUPAC—
SMILESCC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na]
InChIInChI=1S/C6H10O4.2C2H5NO2.Na/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;/h3-4H2,1-2H3;2*3H2,1H3;
InChIKeyFPTJTJNTUMJHNK-UHFFFAOYSA-N
MW319.27 g/mol
LogP-1.42
Rot. Bonds3

About CID 158105337

CID 158105337 (PubChem CID 158105337) has the molecular formula C10H20N2NaO8 and a molecular weight of 319.27 g/mol.

Molecular Properties

Compound NameCID 158105337
PubChem CID158105337
Molecular FormulaC10H20N2NaO8
Molecular Weight319.27 g/mol
Exact Mass319.11
IUPAC Name—
SMILESCC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na]
InChIInChI=1S/C6H10O4.2C2H5NO2.Na/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;/h3-4H2,1-2H3;2*3H2,1H3;
InChIKeyFPTJTJNTUMJHNK-UHFFFAOYSA-N
XLogP-1.42
TPSA157.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 158128480
CID 158128480
bis(2-acetyloxyethyl acetate);amino acetate
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CID 173024816
amino acetate;butane
CID 90344227
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-acetyloxyethyl acetate;hexane
CID 137406148
magnesium;amino acetate;hydride
CID 173289469
11-acetyloxyundecyl acetate
CID 87784419
cyclopropane;2-methoxyethyl acetate
CID 69413766
CID 159328585
CID 159328585

Frequently Asked Questions

What is the IUPAC name of CID 158105337?
The IUPAC name of CID 158105337 (CID 158105337) is not available.
What is the SMILES notation for CID 158105337?
The canonical SMILES for CID 158105337 is CC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].
What is the InChIKey of CID 158105337?
The InChIKey is FPTJTJNTUMJHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C2H5NO2.Na/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;/h3-4H2,1-2H3;2*3H2,1H3;.
What are the key properties of CID 158105337?
CID 158105337 has a molecular weight of 319.27 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158105337 is sourced from PubChem (CID 158105337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).