azane;2,3-diacetyloxypropyl acetate;hydrochloride

C9H18ClNO6 — CID 173356168

IUPACazane;2,3-diacetyloxypropyl acetate;hydrochloride
SMILESCC(=O)OCC(COC(C)=O)OC(C)=O.Cl.N
InChIInChI=1S/C9H14O6.ClH.H3N/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;;/h9H,4-5H2,1-3H3;1H;1H3
InChIKeyRQMBAZDGWJQAOL-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.63
Rot. Bonds5

About azane;2,3-diacetyloxypropyl acetate;hydrochloride

azane;2,3-diacetyloxypropyl acetate;hydrochloride (PubChem CID 173356168) has the molecular formula C9H18ClNO6 and a molecular weight of 271.70 g/mol. Its IUPAC name is azane;2,3-diacetyloxypropyl acetate;hydrochloride.

Molecular Properties

Compound Nameazane;2,3-diacetyloxypropyl acetate;hydrochloride
PubChem CID173356168
Molecular FormulaC9H18ClNO6
Molecular Weight271.70 g/mol
Exact Mass271.08
IUPAC Nameazane;2,3-diacetyloxypropyl acetate;hydrochloride
SMILESCC(=O)OCC(COC(C)=O)OC(C)=O.Cl.N
InChIInChI=1S/C9H14O6.ClH.H3N/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;;/h9H,4-5H2,1-3H3;1H;1H3
InChIKeyRQMBAZDGWJQAOL-UHFFFAOYSA-N
XLogP0.63
TPSA113.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
[2-acetyloxy-3-(1,1-diiodoethoxy)propyl] acetate
CID 118586406
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
2,3-diacetyloxypropyl acetate;ethyl butanoate
CID 146464285
2,3-diacetyloxypropyl hydrogen phosphate
CID 22956793
[(2R)-2,3-diacetyloxypropyl] hydrogen phosphate
CID 59891983
acetic acid;2,3-diacetyloxypropyl acetate;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 159434114
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749

Frequently Asked Questions

What is the IUPAC name of azane;2,3-diacetyloxypropyl acetate;hydrochloride?
The IUPAC name of azane;2,3-diacetyloxypropyl acetate;hydrochloride (CID 173356168) is azane;2,3-diacetyloxypropyl acetate;hydrochloride.
What is the SMILES notation for azane;2,3-diacetyloxypropyl acetate;hydrochloride?
The canonical SMILES for azane;2,3-diacetyloxypropyl acetate;hydrochloride is CC(=O)OCC(COC(C)=O)OC(C)=O.Cl.N.
What is the InChIKey of azane;2,3-diacetyloxypropyl acetate;hydrochloride?
The InChIKey is RQMBAZDGWJQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6.ClH.H3N/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;;/h9H,4-5H2,1-3H3;1H;1H3.
What are the key properties of azane;2,3-diacetyloxypropyl acetate;hydrochloride?
azane;2,3-diacetyloxypropyl acetate;hydrochloride has a molecular weight of 271.70 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-diacetyloxypropyl acetate;hydrochloride is sourced from PubChem (CID 173356168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).