bis(2-ethylhexyl propanoate);hydroxylamine

C22H47NO5 — CID 88651509

IUPACbis(2-ethylhexyl propanoate);hydroxylamine
SMILESCCCCC(CC)COC(=O)CC.CCCCC(CC)COC(=O)CC.NO
InChIInChI=1S/2C11H22O2.H3NO/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h2*10H,4-9H2,1-3H3;2H,1H2
InChIKeyXZFJTSOMJGITGB-UHFFFAOYSA-N
MW405.62 g/mol
LogP5.65
Rot. Bonds14

About bis(2-ethylhexyl propanoate);hydroxylamine

bis(2-ethylhexyl propanoate);hydroxylamine (PubChem CID 88651509) has the molecular formula C22H47NO5 and a molecular weight of 405.62 g/mol. Its IUPAC name is bis(2-ethylhexyl propanoate);hydroxylamine.

Molecular Properties

Compound Namebis(2-ethylhexyl propanoate);hydroxylamine
PubChem CID88651509
Molecular FormulaC22H47NO5
Molecular Weight405.62 g/mol
Exact Mass405.35
IUPAC Namebis(2-ethylhexyl propanoate);hydroxylamine
SMILESCCCCC(CC)COC(=O)CC.CCCCC(CC)COC(=O)CC.NO
InChIInChI=1S/2C11H22O2.H3NO/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h2*10H,4-9H2,1-3H3;2H,1H2
InChIKeyXZFJTSOMJGITGB-UHFFFAOYSA-N
XLogP5.65
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexan-1-ol;2-ethylhexyl propanoate
CID 143702468
2-ethyltridecyl propanoate
CID 172787512
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
[2-(2-ethylhexoxy)-2-oxoethyl]azanium
CID 163684998
bis(2-ethylhexyl) nonanedioate
CID 7642
2-decyltetradecyl propanoate
CID 160958817
2-ethylhexyl 3-hexylundecanoate
CID 23148711
2-ethylhexyl 4-methylpentanoate
CID 134988368
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 5-methylhexanoate
CID 129117635
1-O,3-O-bis[(2R)-2-ethylhexyl] 5-O-[(2S)-2-ethylhexyl] pentane-1,3,5-tricarboxylate
CID 124824126
2-ethylhexyl 2-aminoacetate;sulfuric acid
CID 174848868

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl propanoate);hydroxylamine?
The IUPAC name of bis(2-ethylhexyl propanoate);hydroxylamine (CID 88651509) is bis(2-ethylhexyl propanoate);hydroxylamine.
What is the SMILES notation for bis(2-ethylhexyl propanoate);hydroxylamine?
The canonical SMILES for bis(2-ethylhexyl propanoate);hydroxylamine is CCCCC(CC)COC(=O)CC.CCCCC(CC)COC(=O)CC.NO.
What is the InChIKey of bis(2-ethylhexyl propanoate);hydroxylamine?
The InChIKey is XZFJTSOMJGITGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O2.H3NO/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;1-2/h2*10H,4-9H2,1-3H3;2H,1H2.
What are the key properties of bis(2-ethylhexyl propanoate);hydroxylamine?
bis(2-ethylhexyl propanoate);hydroxylamine has a molecular weight of 405.62 g/mol, XLogP of 5.65, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexyl propanoate);hydroxylamine is sourced from PubChem (CID 88651509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).